USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 876 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 CYS SG : rot 71:sc= -2.15! USER MOD Set 1.2: A 84 GLN : amide:sc= 0.459 K(o=-1.7,f=-4.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.0357 (180deg=-0.699) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0599) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0168 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.254 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -49:sc= 0.822 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.092 K(o=-0.092,f=-2.2!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -0.295 K(o=-0.3,f=-3.1!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 143:sc= 0.0013 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0725 USER MOD Single : A 41 THR OG1 : rot 8:sc= -0.522 USER MOD Single : A 43 GLN : amide:sc= -1.02 K(o=-1,f=-2.3) USER MOD Single : A 49 TYR OH : rot 165:sc= -0.888 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0701) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.0508 K(o=-0.051,f=-2.4!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.107 K(o=-0.11,f=-2!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 144:sc= 1.21 (180deg=0.282) USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -138:sc= -0.28 (180deg=-2.34!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.019) USER MOD Single : A 99 GLN : amide:sc= -6.42! C(o=-6.4!,f=-10!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0791) USER MOD Single : A 102 ASN : amide:sc= -1.9 K(o=-1.9,f=-6.1!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.0957 K(o=-0.096,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -48.787 -44.478 -6.762 1.00 0.00 N ATOM 2 CA MET A 1 -48.610 -44.670 -8.198 1.00 0.00 C ATOM 3 C MET A 1 -47.346 -43.970 -8.687 1.00 0.00 C ATOM 4 O MET A 1 -46.587 -43.412 -7.895 1.00 0.00 O ATOM 5 CB MET A 1 -49.828 -44.143 -8.958 1.00 0.00 C ATOM 6 CG MET A 1 -51.126 -44.838 -8.582 1.00 0.00 C ATOM 7 SD MET A 1 -52.489 -43.680 -8.340 1.00 0.00 S ATOM 8 CE MET A 1 -53.726 -44.380 -9.429 1.00 0.00 C ATOM 0 H1 MET A 1 -48.894 -45.403 -6.299 1.00 0.00 H new ATOM 0 H2 MET A 1 -47.956 -43.990 -6.372 1.00 0.00 H new ATOM 0 H3 MET A 1 -49.637 -43.904 -6.591 1.00 0.00 H new ATOM 0 HA MET A 1 -48.508 -45.738 -8.388 1.00 0.00 H new ATOM 0 HB2 MET A 1 -49.930 -43.074 -8.769 1.00 0.00 H new ATOM 0 HB3 MET A 1 -49.658 -44.263 -10.028 1.00 0.00 H new ATOM 0 HG2 MET A 1 -51.393 -45.549 -9.364 1.00 0.00 H new ATOM 0 HG3 MET A 1 -50.975 -45.412 -7.668 1.00 0.00 H new ATOM 0 HE1 MET A 1 -54.631 -43.773 -9.389 1.00 0.00 H new ATOM 0 HE2 MET A 1 -53.345 -44.397 -10.450 1.00 0.00 H new ATOM 0 HE3 MET A 1 -53.957 -45.397 -9.111 1.00 0.00 H new ATOM 17 N SER A 2 -47.128 -44.002 -9.999 1.00 0.00 N ATOM 18 CA SER A 2 -45.955 -43.374 -10.594 1.00 0.00 C ATOM 19 C SER A 2 -46.192 -43.069 -12.070 1.00 0.00 C ATOM 20 O SER A 2 -47.018 -43.708 -12.722 1.00 0.00 O ATOM 21 CB SER A 2 -44.731 -44.278 -10.438 1.00 0.00 C ATOM 22 OG SER A 2 -44.817 -45.404 -11.294 1.00 0.00 O ATOM 0 H SER A 2 -47.749 -44.456 -10.669 1.00 0.00 H new ATOM 0 HA SER A 2 -45.772 -42.435 -10.072 1.00 0.00 H new ATOM 0 HB2 SER A 2 -43.827 -43.713 -10.664 1.00 0.00 H new ATOM 0 HB3 SER A 2 -44.649 -44.609 -9.403 1.00 0.00 H new ATOM 0 HG SER A 2 -44.022 -45.965 -11.177 1.00 0.00 H new ATOM 28 N ILE A 3 -45.461 -42.089 -12.589 1.00 0.00 N ATOM 29 CA ILE A 3 -45.591 -41.699 -13.988 1.00 0.00 C ATOM 30 C ILE A 3 -44.278 -41.136 -14.527 1.00 0.00 C ATOM 31 O ILE A 3 -43.367 -40.824 -13.761 1.00 0.00 O ATOM 32 CB ILE A 3 -46.702 -40.651 -14.179 1.00 0.00 C ATOM 33 CG1 ILE A 3 -46.510 -39.487 -13.206 1.00 0.00 C ATOM 34 CG2 ILE A 3 -48.070 -41.289 -13.990 1.00 0.00 C ATOM 35 CD1 ILE A 3 -46.924 -38.149 -13.775 1.00 0.00 C ATOM 0 H ILE A 3 -44.773 -41.551 -12.063 1.00 0.00 H new ATOM 0 HA ILE A 3 -45.853 -42.600 -14.543 1.00 0.00 H new ATOM 0 HB ILE A 3 -46.642 -40.261 -15.195 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -47.086 -39.682 -12.301 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -45.461 -39.439 -12.912 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -48.845 -40.535 -14.128 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -48.204 -42.086 -14.722 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -48.142 -41.704 -12.985 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -46.760 -37.370 -13.030 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -46.331 -37.932 -14.663 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -47.980 -38.179 -14.043 1.00 0.00 H new ATOM 47 N GLU A 4 -44.193 -41.009 -15.847 1.00 0.00 N ATOM 48 CA GLU A 4 -42.992 -40.482 -16.485 1.00 0.00 C ATOM 49 C GLU A 4 -42.777 -39.018 -16.117 1.00 0.00 C ATOM 50 O GLU A 4 -43.726 -38.234 -16.062 1.00 0.00 O ATOM 51 CB GLU A 4 -43.092 -40.628 -18.006 1.00 0.00 C ATOM 52 CG GLU A 4 -42.131 -41.652 -18.584 1.00 0.00 C ATOM 53 CD GLU A 4 -40.885 -41.017 -19.170 1.00 0.00 C ATOM 54 OE1 GLU A 4 -40.325 -40.105 -18.525 1.00 0.00 O ATOM 55 OE2 GLU A 4 -40.469 -41.431 -20.272 1.00 0.00 O ATOM 0 H GLU A 4 -44.939 -41.263 -16.494 1.00 0.00 H new ATOM 0 HA GLU A 4 -42.138 -41.057 -16.126 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -44.111 -40.910 -18.269 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -42.900 -39.660 -18.469 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -41.843 -42.356 -17.803 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -42.640 -42.226 -19.358 1.00 0.00 H new ATOM 62 N ASN A 5 -41.525 -38.655 -15.864 1.00 0.00 N ATOM 63 CA ASN A 5 -41.183 -37.285 -15.499 1.00 0.00 C ATOM 64 C ASN A 5 -40.091 -36.734 -16.410 1.00 0.00 C ATOM 65 O ASN A 5 -39.653 -37.404 -17.346 1.00 0.00 O ATOM 66 CB ASN A 5 -40.725 -37.222 -14.041 1.00 0.00 C ATOM 67 CG ASN A 5 -41.718 -36.495 -13.153 1.00 0.00 C ATOM 68 OD1 ASN A 5 -42.694 -37.079 -12.684 1.00 0.00 O ATOM 69 ND2 ASN A 5 -41.471 -35.210 -12.920 1.00 0.00 N ATOM 0 H ASN A 5 -40.729 -39.291 -15.905 1.00 0.00 H new ATOM 0 HA ASN A 5 -42.076 -36.671 -15.620 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -40.579 -38.235 -13.665 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -39.759 -36.720 -13.988 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -42.103 -34.668 -12.331 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -40.649 -34.766 -13.330 1.00 0.00 H new ATOM 76 N LEU A 6 -39.655 -35.511 -16.132 1.00 0.00 N ATOM 77 CA LEU A 6 -38.614 -34.870 -16.926 1.00 0.00 C ATOM 78 C LEU A 6 -37.721 -33.998 -16.050 1.00 0.00 C ATOM 79 O LEU A 6 -37.974 -33.831 -14.855 1.00 0.00 O ATOM 80 CB LEU A 6 -39.239 -34.025 -18.037 1.00 0.00 C ATOM 81 CG LEU A 6 -40.261 -32.978 -17.589 1.00 0.00 C ATOM 82 CD1 LEU A 6 -39.669 -31.581 -17.680 1.00 0.00 C ATOM 83 CD2 LEU A 6 -41.528 -33.080 -18.427 1.00 0.00 C ATOM 0 H LEU A 6 -40.007 -34.943 -15.362 1.00 0.00 H new ATOM 0 HA LEU A 6 -38.001 -35.652 -17.374 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -38.438 -33.516 -18.573 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -39.723 -34.695 -18.748 1.00 0.00 H new ATOM 0 HG LEU A 6 -40.521 -33.171 -16.548 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -40.410 -30.850 -17.357 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -38.791 -31.515 -17.037 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -39.380 -31.375 -18.711 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -42.245 -32.329 -18.096 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -41.285 -32.912 -19.476 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -41.963 -34.073 -18.310 1.00 0.00 H new ATOM 95 N LYS A 7 -36.675 -33.440 -16.649 1.00 0.00 N ATOM 96 CA LYS A 7 -35.743 -32.581 -15.926 1.00 0.00 C ATOM 97 C LYS A 7 -34.965 -31.691 -16.888 1.00 0.00 C ATOM 98 O LYS A 7 -34.387 -32.170 -17.863 1.00 0.00 O ATOM 99 CB LYS A 7 -34.774 -33.428 -15.100 1.00 0.00 C ATOM 100 CG LYS A 7 -34.906 -33.217 -13.602 1.00 0.00 C ATOM 101 CD LYS A 7 -33.970 -32.125 -13.108 1.00 0.00 C ATOM 102 CE LYS A 7 -34.503 -31.462 -11.848 1.00 0.00 C ATOM 103 NZ LYS A 7 -34.747 -32.450 -10.761 1.00 0.00 N ATOM 0 H LYS A 7 -36.450 -33.567 -17.636 1.00 0.00 H new ATOM 0 HA LYS A 7 -36.320 -31.943 -15.256 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -34.942 -34.481 -15.326 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -33.753 -33.196 -15.403 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -35.935 -32.952 -13.360 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -34.686 -34.149 -13.081 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -32.986 -32.550 -12.908 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -33.841 -31.375 -13.888 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -33.791 -30.712 -11.504 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -35.431 -30.939 -12.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -34.946 -31.947 -9.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -35.561 -33.047 -11.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -33.904 -33.047 -10.639 1.00 0.00 H new ATOM 117 N SER A 8 -34.953 -30.392 -16.607 1.00 0.00 N ATOM 118 CA SER A 8 -34.246 -29.434 -17.449 1.00 0.00 C ATOM 119 C SER A 8 -32.862 -29.130 -16.884 1.00 0.00 C ATOM 120 O SER A 8 -32.709 -28.274 -16.012 1.00 0.00 O ATOM 121 CB SER A 8 -35.054 -28.139 -17.575 1.00 0.00 C ATOM 122 OG SER A 8 -34.210 -27.039 -17.863 1.00 0.00 O ATOM 0 H SER A 8 -35.425 -29.979 -15.803 1.00 0.00 H new ATOM 0 HA SER A 8 -34.126 -29.877 -18.438 1.00 0.00 H new ATOM 0 HB2 SER A 8 -35.799 -28.246 -18.364 1.00 0.00 H new ATOM 0 HB3 SER A 8 -35.596 -27.953 -16.648 1.00 0.00 H new ATOM 0 HG SER A 8 -34.749 -26.224 -17.940 1.00 0.00 H new ATOM 128 N PHE A 9 -31.857 -29.838 -17.386 1.00 0.00 N ATOM 129 CA PHE A 9 -30.485 -29.646 -16.931 1.00 0.00 C ATOM 130 C PHE A 9 -29.727 -28.709 -17.867 1.00 0.00 C ATOM 131 O PHE A 9 -29.428 -29.062 -19.007 1.00 0.00 O ATOM 132 CB PHE A 9 -29.760 -30.991 -16.843 1.00 0.00 C ATOM 133 CG PHE A 9 -28.815 -31.088 -15.681 1.00 0.00 C ATOM 134 CD1 PHE A 9 -27.702 -30.266 -15.605 1.00 0.00 C ATOM 135 CD2 PHE A 9 -29.037 -32.003 -14.663 1.00 0.00 C ATOM 136 CE1 PHE A 9 -26.830 -30.352 -14.538 1.00 0.00 C ATOM 137 CE2 PHE A 9 -28.167 -32.094 -13.592 1.00 0.00 C ATOM 138 CZ PHE A 9 -27.063 -31.269 -13.529 1.00 0.00 C ATOM 0 H PHE A 9 -31.966 -30.550 -18.108 1.00 0.00 H new ATOM 0 HA PHE A 9 -30.519 -29.193 -15.940 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -30.499 -31.789 -16.767 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -29.205 -31.157 -17.767 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -27.514 -29.549 -16.390 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -29.899 -32.652 -14.707 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -25.967 -29.704 -14.491 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -28.352 -32.811 -12.805 1.00 0.00 H new ATOM 0 HZ PHE A 9 -26.382 -31.339 -12.694 1.00 0.00 H new ATOM 148 N ASP A 10 -29.420 -27.512 -17.376 1.00 0.00 N ATOM 149 CA ASP A 10 -28.697 -26.524 -18.167 1.00 0.00 C ATOM 150 C ASP A 10 -27.600 -25.863 -17.339 1.00 0.00 C ATOM 151 O ASP A 10 -27.619 -25.883 -16.108 1.00 0.00 O ATOM 152 CB ASP A 10 -29.661 -25.463 -18.700 1.00 0.00 C ATOM 153 CG ASP A 10 -30.803 -25.183 -17.741 1.00 0.00 C ATOM 154 OD1 ASP A 10 -30.542 -25.080 -16.524 1.00 0.00 O ATOM 155 OD2 ASP A 10 -31.955 -25.068 -18.208 1.00 0.00 O ATOM 0 H ASP A 10 -29.661 -27.204 -16.434 1.00 0.00 H new ATOM 0 HA ASP A 10 -28.232 -27.037 -19.009 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -29.113 -24.540 -18.887 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -30.066 -25.792 -19.657 1.00 0.00 H new ATOM 160 N PRO A 11 -26.620 -25.260 -18.029 1.00 0.00 N ATOM 161 CA PRO A 11 -25.495 -24.583 -17.377 1.00 0.00 C ATOM 162 C PRO A 11 -25.923 -23.298 -16.673 1.00 0.00 C ATOM 163 O PRO A 11 -26.241 -22.300 -17.321 1.00 0.00 O ATOM 164 CB PRO A 11 -24.550 -24.266 -18.539 1.00 0.00 C ATOM 165 CG PRO A 11 -25.433 -24.201 -19.738 1.00 0.00 C ATOM 166 CD PRO A 11 -26.533 -25.196 -19.498 1.00 0.00 C ATOM 0 HA PRO A 11 -25.044 -25.198 -16.599 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -24.029 -23.322 -18.379 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -23.787 -25.036 -18.650 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -25.837 -23.197 -19.871 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -24.878 -24.444 -20.644 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -27.473 -24.870 -19.943 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -26.296 -26.169 -19.929 1.00 0.00 H new ATOM 174 N PHE A 12 -25.925 -23.330 -15.346 1.00 0.00 N ATOM 175 CA PHE A 12 -26.313 -22.167 -14.554 1.00 0.00 C ATOM 176 C PHE A 12 -25.355 -21.005 -14.789 1.00 0.00 C ATOM 177 O PHE A 12 -25.759 -19.842 -14.785 1.00 0.00 O ATOM 178 CB PHE A 12 -26.344 -22.525 -13.067 1.00 0.00 C ATOM 179 CG PHE A 12 -27.081 -21.523 -12.224 1.00 0.00 C ATOM 180 CD1 PHE A 12 -28.375 -21.144 -12.549 1.00 0.00 C ATOM 181 CD2 PHE A 12 -26.483 -20.959 -11.110 1.00 0.00 C ATOM 182 CE1 PHE A 12 -29.056 -20.222 -11.777 1.00 0.00 C ATOM 183 CE2 PHE A 12 -27.159 -20.038 -10.333 1.00 0.00 C ATOM 184 CZ PHE A 12 -28.447 -19.668 -10.668 1.00 0.00 C ATOM 0 H PHE A 12 -25.663 -24.147 -14.795 1.00 0.00 H new ATOM 0 HA PHE A 12 -27.311 -21.861 -14.868 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -26.811 -23.503 -12.947 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -25.321 -22.613 -12.701 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -28.856 -21.574 -13.415 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -25.475 -21.243 -10.845 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -30.063 -19.935 -12.041 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -26.681 -19.608 -9.465 1.00 0.00 H new ATOM 0 HZ PHE A 12 -28.977 -18.947 -10.064 1.00 0.00 H new ATOM 194 N ALA A 13 -24.082 -21.327 -14.994 1.00 0.00 N ATOM 195 CA ALA A 13 -23.065 -20.311 -15.232 1.00 0.00 C ATOM 196 C ALA A 13 -22.912 -19.392 -14.024 1.00 0.00 C ATOM 197 O ALA A 13 -23.574 -18.359 -13.929 1.00 0.00 O ATOM 198 CB ALA A 13 -23.410 -19.498 -16.473 1.00 0.00 C ATOM 0 H ALA A 13 -23.731 -22.285 -15.000 1.00 0.00 H new ATOM 0 HA ALA A 13 -22.114 -20.818 -15.394 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -22.642 -18.743 -16.638 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -23.462 -20.159 -17.338 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -24.374 -19.010 -16.332 1.00 0.00 H new ATOM 204 N ASP A 14 -22.036 -19.777 -13.103 1.00 0.00 N ATOM 205 CA ASP A 14 -21.795 -18.989 -11.900 1.00 0.00 C ATOM 206 C ASP A 14 -20.308 -18.946 -11.566 1.00 0.00 C ATOM 207 O ASP A 14 -19.631 -19.974 -11.563 1.00 0.00 O ATOM 208 CB ASP A 14 -22.578 -19.567 -10.721 1.00 0.00 C ATOM 209 CG ASP A 14 -23.144 -18.488 -9.816 1.00 0.00 C ATOM 210 OD1 ASP A 14 -24.239 -17.970 -10.123 1.00 0.00 O ATOM 211 OD2 ASP A 14 -22.492 -18.163 -8.803 1.00 0.00 O ATOM 0 H ASP A 14 -21.481 -20.630 -13.166 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.136 -17.971 -12.089 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -23.393 -20.185 -11.098 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -21.926 -20.219 -10.140 1.00 0.00 H new ATOM 216 N THR A 15 -19.801 -17.748 -11.288 1.00 0.00 N ATOM 217 CA THR A 15 -18.394 -17.570 -10.955 1.00 0.00 C ATOM 218 C THR A 15 -18.146 -17.806 -9.470 1.00 0.00 C ATOM 219 O THR A 15 -19.086 -17.953 -8.689 1.00 0.00 O ATOM 220 CB THR A 15 -17.903 -16.158 -11.328 1.00 0.00 C ATOM 221 OG1 THR A 15 -16.482 -16.078 -11.171 1.00 0.00 O ATOM 222 CG2 THR A 15 -18.575 -15.104 -10.461 1.00 0.00 C ATOM 0 H THR A 15 -20.346 -16.886 -11.287 1.00 0.00 H new ATOM 0 HA THR A 15 -17.837 -18.306 -11.535 1.00 0.00 H new ATOM 0 HB THR A 15 -18.165 -15.969 -12.369 1.00 0.00 H new ATOM 0 HG1 THR A 15 -16.176 -15.178 -11.411 1.00 0.00 H new ATOM 0 HG21 THR A 15 -18.212 -14.116 -10.743 1.00 0.00 H new ATOM 0 HG22 THR A 15 -19.655 -15.149 -10.605 1.00 0.00 H new ATOM 0 HG23 THR A 15 -18.340 -15.291 -9.413 1.00 0.00 H new ATOM 230 N GLY A 16 -16.874 -17.841 -9.084 1.00 0.00 N ATOM 231 CA GLY A 16 -16.526 -18.058 -7.693 1.00 0.00 C ATOM 232 C GLY A 16 -15.900 -16.835 -7.053 1.00 0.00 C ATOM 233 O GLY A 16 -14.797 -16.429 -7.418 1.00 0.00 O ATOM 0 H GLY A 16 -16.078 -17.723 -9.711 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -17.421 -18.337 -7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -15.833 -18.896 -7.622 1.00 0.00 H new ATOM 237 N ASP A 17 -16.609 -16.242 -6.098 1.00 0.00 N ATOM 238 CA ASP A 17 -16.118 -15.056 -5.406 1.00 0.00 C ATOM 239 C ASP A 17 -14.948 -15.405 -4.490 1.00 0.00 C ATOM 240 O ASP A 17 -14.633 -16.579 -4.292 1.00 0.00 O ATOM 241 CB ASP A 17 -17.243 -14.411 -4.594 1.00 0.00 C ATOM 242 CG ASP A 17 -18.525 -14.273 -5.389 1.00 0.00 C ATOM 243 OD1 ASP A 17 -18.516 -13.558 -6.412 1.00 0.00 O ATOM 244 OD2 ASP A 17 -19.539 -14.884 -4.990 1.00 0.00 O ATOM 0 H ASP A 17 -17.525 -16.563 -5.786 1.00 0.00 H new ATOM 0 HA ASP A 17 -15.769 -14.347 -6.156 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.434 -15.010 -3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.923 -13.426 -4.253 1.00 0.00 H new ATOM 249 N ASP A 18 -14.311 -14.381 -3.937 1.00 0.00 N ATOM 250 CA ASP A 18 -13.175 -14.580 -3.042 1.00 0.00 C ATOM 251 C ASP A 18 -13.487 -14.051 -1.646 1.00 0.00 C ATOM 252 O ASP A 18 -14.554 -13.488 -1.408 1.00 0.00 O ATOM 253 CB ASP A 18 -11.932 -13.884 -3.599 1.00 0.00 C ATOM 254 CG ASP A 18 -12.226 -12.484 -4.100 1.00 0.00 C ATOM 255 OD1 ASP A 18 -13.198 -11.872 -3.611 1.00 0.00 O ATOM 256 OD2 ASP A 18 -11.485 -12.001 -4.980 1.00 0.00 O ATOM 0 H ASP A 18 -14.560 -13.404 -4.091 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.981 -15.650 -2.971 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.168 -13.836 -2.823 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.521 -14.479 -4.414 1.00 0.00 H new ATOM 261 N GLU A 19 -12.547 -14.240 -0.724 1.00 0.00 N ATOM 262 CA GLU A 19 -12.722 -13.784 0.649 1.00 0.00 C ATOM 263 C GLU A 19 -12.630 -12.264 0.734 1.00 0.00 C ATOM 264 O GLU A 19 -11.895 -11.631 -0.025 1.00 0.00 O ATOM 265 CB GLU A 19 -11.670 -14.421 1.560 1.00 0.00 C ATOM 266 CG GLU A 19 -12.130 -15.715 2.210 1.00 0.00 C ATOM 267 CD GLU A 19 -10.985 -16.672 2.477 1.00 0.00 C ATOM 268 OE1 GLU A 19 -10.479 -17.283 1.512 1.00 0.00 O ATOM 269 OE2 GLU A 19 -10.591 -16.812 3.655 1.00 0.00 O ATOM 0 H GLU A 19 -11.657 -14.706 -0.904 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.714 -14.090 0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.769 -14.617 0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.398 -13.709 2.340 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.634 -15.486 3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.862 -16.201 1.565 1.00 0.00 H new ATOM 276 N THR A 20 -13.384 -11.681 1.662 1.00 0.00 N ATOM 277 CA THR A 20 -13.390 -10.236 1.846 1.00 0.00 C ATOM 278 C THR A 20 -12.291 -9.800 2.808 1.00 0.00 C ATOM 279 O THR A 20 -11.808 -8.670 2.742 1.00 0.00 O ATOM 280 CB THR A 20 -14.748 -9.744 2.378 1.00 0.00 C ATOM 281 OG1 THR A 20 -14.777 -8.312 2.395 1.00 0.00 O ATOM 282 CG2 THR A 20 -15.007 -10.278 3.778 1.00 0.00 C ATOM 0 H THR A 20 -13.999 -12.189 2.298 1.00 0.00 H new ATOM 0 HA THR A 20 -13.209 -9.791 0.867 1.00 0.00 H new ATOM 0 HB THR A 20 -15.529 -10.116 1.715 1.00 0.00 H new ATOM 0 HG1 THR A 20 -15.645 -8.006 2.733 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.972 -9.917 4.132 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.013 -11.368 3.756 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.221 -9.933 4.450 1.00 0.00 H new ATOM 290 N ALA A 21 -11.899 -10.703 3.701 1.00 0.00 N ATOM 291 CA ALA A 21 -10.854 -10.410 4.675 1.00 0.00 C ATOM 292 C ALA A 21 -11.266 -9.264 5.592 1.00 0.00 C ATOM 293 O ALA A 21 -12.293 -8.620 5.378 1.00 0.00 O ATOM 294 CB ALA A 21 -9.549 -10.081 3.966 1.00 0.00 C ATOM 0 H ALA A 21 -12.289 -11.643 3.770 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.705 -11.297 5.291 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.778 -9.864 4.705 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.240 -10.932 3.358 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.692 -9.211 3.326 1.00 0.00 H new ATOM 300 N THR A 22 -10.455 -9.012 6.616 1.00 0.00 N ATOM 301 CA THR A 22 -10.735 -7.946 7.567 1.00 0.00 C ATOM 302 C THR A 22 -9.511 -7.636 8.423 1.00 0.00 C ATOM 303 O THR A 22 -9.633 -7.332 9.610 1.00 0.00 O ATOM 304 CB THR A 22 -11.913 -8.309 8.491 1.00 0.00 C ATOM 305 OG1 THR A 22 -12.252 -7.190 9.317 1.00 0.00 O ATOM 306 CG2 THR A 22 -11.568 -9.506 9.363 1.00 0.00 C ATOM 0 H THR A 22 -9.599 -9.533 6.806 1.00 0.00 H new ATOM 0 HA THR A 22 -11.000 -7.065 6.982 1.00 0.00 H new ATOM 0 HB THR A 22 -12.768 -8.570 7.867 1.00 0.00 H new ATOM 0 HG1 THR A 22 -11.439 -6.828 9.728 1.00 0.00 H new ATOM 0 HG21 THR A 22 -12.415 -9.743 10.007 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.342 -10.364 8.730 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.700 -9.270 9.978 1.00 0.00 H new ATOM 314 N SER A 23 -8.333 -7.716 7.813 1.00 0.00 N ATOM 315 CA SER A 23 -7.086 -7.448 8.521 1.00 0.00 C ATOM 316 C SER A 23 -6.244 -6.422 7.768 1.00 0.00 C ATOM 317 O SER A 23 -6.252 -6.380 6.538 1.00 0.00 O ATOM 318 CB SER A 23 -6.292 -8.743 8.705 1.00 0.00 C ATOM 319 OG SER A 23 -7.153 -9.865 8.764 1.00 0.00 O ATOM 0 H SER A 23 -8.216 -7.964 6.831 1.00 0.00 H new ATOM 0 HA SER A 23 -7.332 -7.040 9.501 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.590 -8.863 7.880 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.702 -8.685 9.620 1.00 0.00 H new ATOM 0 HG SER A 23 -6.621 -10.680 8.880 1.00 0.00 H new ATOM 325 N ASN A 24 -5.518 -5.599 8.517 1.00 0.00 N ATOM 326 CA ASN A 24 -4.669 -4.573 7.919 1.00 0.00 C ATOM 327 C ASN A 24 -3.747 -5.174 6.866 1.00 0.00 C ATOM 328 O ASN A 24 -3.058 -6.164 7.119 1.00 0.00 O ATOM 329 CB ASN A 24 -3.841 -3.876 9.001 1.00 0.00 C ATOM 330 CG ASN A 24 -2.958 -4.843 9.766 1.00 0.00 C ATOM 331 OD1 ASN A 24 -3.449 -5.733 10.459 1.00 0.00 O ATOM 332 ND2 ASN A 24 -1.648 -4.671 9.644 1.00 0.00 N ATOM 0 H ASN A 24 -5.500 -5.621 9.537 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.314 -3.840 7.434 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.220 -3.107 8.541 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.510 -3.370 9.697 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.004 -5.291 10.136 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.285 -3.919 9.058 1.00 0.00 H new ATOM 339 N TYR A 25 -3.737 -4.571 5.682 1.00 0.00 N ATOM 340 CA TYR A 25 -2.900 -5.049 4.587 1.00 0.00 C ATOM 341 C TYR A 25 -1.632 -4.209 4.466 1.00 0.00 C ATOM 342 O TYR A 25 -0.629 -4.660 3.913 1.00 0.00 O ATOM 343 CB TYR A 25 -3.678 -5.012 3.270 1.00 0.00 C ATOM 344 CG TYR A 25 -4.083 -6.380 2.768 1.00 0.00 C ATOM 345 CD1 TYR A 25 -5.193 -7.033 3.289 1.00 0.00 C ATOM 346 CD2 TYR A 25 -3.355 -7.020 1.772 1.00 0.00 C ATOM 347 CE1 TYR A 25 -5.566 -8.283 2.834 1.00 0.00 C ATOM 348 CE2 TYR A 25 -3.722 -8.269 1.310 1.00 0.00 C ATOM 349 CZ TYR A 25 -4.827 -8.896 1.845 1.00 0.00 C ATOM 350 OH TYR A 25 -5.196 -10.140 1.387 1.00 0.00 O ATOM 0 H TYR A 25 -4.299 -3.750 5.456 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.613 -6.078 4.803 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.572 -4.403 3.403 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.068 -4.521 2.511 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.775 -6.555 4.063 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.488 -6.533 1.352 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.431 -8.777 3.251 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.146 -8.752 0.534 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.572 -10.430 0.690 1.00 0.00 H new ATOM 360 N ILE A 26 -1.688 -2.988 4.985 1.00 0.00 N ATOM 361 CA ILE A 26 -0.542 -2.086 4.936 1.00 0.00 C ATOM 362 C ILE A 26 -0.543 -1.133 6.126 1.00 0.00 C ATOM 363 O ILE A 26 -1.503 -0.392 6.342 1.00 0.00 O ATOM 364 CB ILE A 26 -0.529 -1.264 3.634 1.00 0.00 C ATOM 365 CG1 ILE A 26 -1.935 -0.746 3.317 1.00 0.00 C ATOM 366 CG2 ILE A 26 0.004 -2.104 2.483 1.00 0.00 C ATOM 367 CD1 ILE A 26 -1.954 0.340 2.266 1.00 0.00 C ATOM 0 H ILE A 26 -2.512 -2.600 5.444 1.00 0.00 H new ATOM 0 HA ILE A 26 0.352 -2.708 4.972 1.00 0.00 H new ATOM 0 HB ILE A 26 0.131 -0.407 3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.553 -1.578 2.980 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.388 -0.363 4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.007 -1.509 1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.020 -2.428 2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.633 -2.978 2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.981 0.660 2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.363 1.189 2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.531 -0.044 1.338 1.00 0.00 H new ATOM 379 N HIS A 27 0.540 -1.155 6.896 1.00 0.00 N ATOM 380 CA HIS A 27 0.666 -0.291 8.065 1.00 0.00 C ATOM 381 C HIS A 27 1.418 0.990 7.714 1.00 0.00 C ATOM 382 O HIS A 27 2.439 0.952 7.027 1.00 0.00 O ATOM 383 CB HIS A 27 1.387 -1.026 9.195 1.00 0.00 C ATOM 384 CG HIS A 27 1.434 -0.255 10.478 1.00 0.00 C ATOM 385 ND1 HIS A 27 0.494 -0.398 11.475 1.00 0.00 N ATOM 386 CD2 HIS A 27 2.315 0.670 10.923 1.00 0.00 C ATOM 387 CE1 HIS A 27 0.794 0.407 12.479 1.00 0.00 C ATOM 388 NE2 HIS A 27 1.896 1.065 12.169 1.00 0.00 N ATOM 0 H HIS A 27 1.343 -1.762 6.732 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.337 -0.024 8.398 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.890 -1.980 9.372 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.405 -1.251 8.879 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -0.308 -1.027 11.443 1.00 0.00 H new ATOM 0 HD2 HIS A 27 3.186 1.031 10.396 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.234 0.509 13.397 1.00 0.00 H new ATOM 396 N ILE A 28 0.905 2.119 8.190 1.00 0.00 N ATOM 397 CA ILE A 28 1.529 3.411 7.926 1.00 0.00 C ATOM 398 C ILE A 28 1.648 4.233 9.204 1.00 0.00 C ATOM 399 O ILE A 28 0.657 4.750 9.718 1.00 0.00 O ATOM 400 CB ILE A 28 0.734 4.218 6.883 1.00 0.00 C ATOM 401 CG1 ILE A 28 -0.002 3.273 5.929 1.00 0.00 C ATOM 402 CG2 ILE A 28 1.662 5.142 6.110 1.00 0.00 C ATOM 403 CD1 ILE A 28 0.924 2.434 5.075 1.00 0.00 C ATOM 0 H ILE A 28 0.060 2.166 8.760 1.00 0.00 H new ATOM 0 HA ILE A 28 2.525 3.207 7.533 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.005 4.828 7.402 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.646 2.612 6.510 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.651 3.859 5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.086 5.706 5.376 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.145 5.833 6.801 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.421 4.550 5.598 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.334 1.789 4.424 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.550 3.087 4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.556 1.821 5.718 1.00 0.00 H new ATOM 415 N ARG A 29 2.871 4.354 9.712 1.00 0.00 N ATOM 416 CA ARG A 29 3.122 5.114 10.930 1.00 0.00 C ATOM 417 C ARG A 29 3.898 6.391 10.623 1.00 0.00 C ATOM 418 O ARG A 29 5.098 6.350 10.347 1.00 0.00 O ATOM 419 CB ARG A 29 3.897 4.264 11.937 1.00 0.00 C ATOM 420 CG ARG A 29 3.123 3.974 13.213 1.00 0.00 C ATOM 421 CD ARG A 29 3.932 3.115 14.174 1.00 0.00 C ATOM 422 NE ARG A 29 4.158 3.787 15.450 1.00 0.00 N ATOM 423 CZ ARG A 29 4.604 3.168 16.538 1.00 0.00 C ATOM 424 NH1 ARG A 29 4.870 1.869 16.501 1.00 0.00 N ATOM 425 NH2 ARG A 29 4.784 3.847 17.663 1.00 0.00 N ATOM 0 H ARG A 29 3.704 3.935 9.298 1.00 0.00 H new ATOM 0 HA ARG A 29 2.159 5.388 11.362 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.173 3.320 11.467 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.825 4.775 12.193 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.856 4.912 13.699 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.191 3.466 12.967 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.409 2.174 14.347 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.891 2.868 13.720 1.00 0.00 H new ATOM 0 HE ARG A 29 3.963 4.786 15.510 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.732 1.345 15.637 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.212 1.395 17.337 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.580 4.846 17.694 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.126 3.370 18.497 1.00 0.00 H new ATOM 439 N ILE A 30 3.205 7.524 10.670 1.00 0.00 N ATOM 440 CA ILE A 30 3.830 8.813 10.399 1.00 0.00 C ATOM 441 C ILE A 30 4.260 9.499 11.691 1.00 0.00 C ATOM 442 O ILE A 30 3.580 9.403 12.712 1.00 0.00 O ATOM 443 CB ILE A 30 2.880 9.748 9.626 1.00 0.00 C ATOM 444 CG1 ILE A 30 2.324 9.037 8.391 1.00 0.00 C ATOM 445 CG2 ILE A 30 3.601 11.026 9.228 1.00 0.00 C ATOM 446 CD1 ILE A 30 0.841 8.743 8.478 1.00 0.00 C ATOM 0 H ILE A 30 2.211 7.576 10.893 1.00 0.00 H new ATOM 0 HA ILE A 30 4.709 8.614 9.786 1.00 0.00 H new ATOM 0 HB ILE A 30 2.046 10.013 10.276 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.513 9.653 7.512 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.864 8.101 8.247 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.916 11.675 8.683 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.953 11.539 10.123 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.452 10.781 8.592 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.516 8.238 7.568 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.647 8.102 9.338 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.291 9.677 8.591 1.00 0.00 H new ATOM 458 N GLN A 31 5.392 10.194 11.637 1.00 0.00 N ATOM 459 CA GLN A 31 5.912 10.898 12.803 1.00 0.00 C ATOM 460 C GLN A 31 6.677 12.151 12.386 1.00 0.00 C ATOM 461 O GLN A 31 7.514 12.106 11.487 1.00 0.00 O ATOM 462 CB GLN A 31 6.824 9.977 13.616 1.00 0.00 C ATOM 463 CG GLN A 31 8.045 9.498 12.849 1.00 0.00 C ATOM 464 CD GLN A 31 8.752 8.348 13.539 1.00 0.00 C ATOM 465 OE1 GLN A 31 8.490 7.180 13.250 1.00 0.00 O ATOM 466 NE2 GLN A 31 9.656 8.672 14.456 1.00 0.00 N ATOM 0 H GLN A 31 5.966 10.284 10.799 1.00 0.00 H new ATOM 0 HA GLN A 31 5.066 11.199 13.421 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.152 10.503 14.512 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.250 9.111 13.947 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.742 9.186 11.849 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.742 10.327 12.727 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.842 9.653 14.664 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.164 7.940 14.952 1.00 0.00 H new ATOM 475 N GLN A 32 6.380 13.266 13.048 1.00 0.00 N ATOM 476 CA GLN A 32 7.039 14.530 12.743 1.00 0.00 C ATOM 477 C GLN A 32 7.964 14.949 13.882 1.00 0.00 C ATOM 478 O GLN A 32 7.729 14.611 15.043 1.00 0.00 O ATOM 479 CB GLN A 32 6.000 15.623 12.488 1.00 0.00 C ATOM 480 CG GLN A 32 6.098 16.243 11.103 1.00 0.00 C ATOM 481 CD GLN A 32 5.812 17.732 11.109 1.00 0.00 C ATOM 482 OE1 GLN A 32 4.815 18.182 11.675 1.00 0.00 O ATOM 483 NE2 GLN A 32 6.689 18.505 10.479 1.00 0.00 N ATOM 0 H GLN A 32 5.689 13.319 13.797 1.00 0.00 H new ATOM 0 HA GLN A 32 7.638 14.391 11.843 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.003 15.203 12.619 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.117 16.406 13.237 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.097 16.070 10.702 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.395 15.745 10.435 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.501 18.089 10.024 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.550 19.515 10.451 1.00 0.00 H new ATOM 492 N ARG A 33 9.016 15.687 13.543 1.00 0.00 N ATOM 493 CA ARG A 33 9.977 16.149 14.537 1.00 0.00 C ATOM 494 C ARG A 33 10.017 17.674 14.585 1.00 0.00 C ATOM 495 O ARG A 33 9.662 18.283 15.594 1.00 0.00 O ATOM 496 CB ARG A 33 11.371 15.602 14.226 1.00 0.00 C ATOM 497 CG ARG A 33 11.569 14.159 14.659 1.00 0.00 C ATOM 498 CD ARG A 33 11.764 14.053 16.163 1.00 0.00 C ATOM 499 NE ARG A 33 10.503 13.825 16.864 1.00 0.00 N ATOM 500 CZ ARG A 33 10.426 13.416 18.125 1.00 0.00 C ATOM 501 NH1 ARG A 33 11.532 13.193 18.822 1.00 0.00 N ATOM 502 NH2 ARG A 33 9.241 13.231 18.693 1.00 0.00 N ATOM 0 H ARG A 33 9.224 15.978 12.588 1.00 0.00 H new ATOM 0 HA ARG A 33 9.659 15.778 15.512 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.551 15.679 13.154 1.00 0.00 H new ATOM 0 HB3 ARG A 33 12.116 16.226 14.720 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.705 13.566 14.360 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.436 13.740 14.148 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.453 13.238 16.383 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.225 14.968 16.534 1.00 0.00 H new ATOM 0 HE ARG A 33 9.633 13.989 16.357 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.445 13.336 18.390 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.470 12.879 19.790 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.388 13.403 18.161 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.183 12.917 19.662 1.00 0.00 H new ATOM 516 N ASN A 34 10.451 18.284 13.487 1.00 0.00 N ATOM 517 CA ASN A 34 10.538 19.738 13.405 1.00 0.00 C ATOM 518 C ASN A 34 11.032 20.176 12.028 1.00 0.00 C ATOM 519 O ASN A 34 11.693 19.414 11.323 1.00 0.00 O ATOM 520 CB ASN A 34 11.475 20.276 14.488 1.00 0.00 C ATOM 521 CG ASN A 34 10.903 21.490 15.195 1.00 0.00 C ATOM 522 OD1 ASN A 34 10.525 22.472 14.558 1.00 0.00 O ATOM 523 ND2 ASN A 34 10.836 21.425 16.521 1.00 0.00 N ATOM 0 H ASN A 34 10.748 17.795 12.642 1.00 0.00 H new ATOM 0 HA ASN A 34 9.539 20.146 13.562 1.00 0.00 H new ATOM 0 HB2 ASN A 34 11.670 19.491 15.219 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.433 20.538 14.039 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.459 22.210 17.052 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.161 20.590 17.008 1.00 0.00 H new ATOM 530 N GLY A 35 10.705 21.408 11.653 1.00 0.00 N ATOM 531 CA GLY A 35 11.124 21.927 10.364 1.00 0.00 C ATOM 532 C GLY A 35 10.417 21.247 9.208 1.00 0.00 C ATOM 533 O GLY A 35 9.245 20.886 9.316 1.00 0.00 O ATOM 0 H GLY A 35 10.157 22.057 12.219 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.928 22.999 10.326 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.201 21.796 10.255 1.00 0.00 H new ATOM 537 N ARG A 36 11.129 21.074 8.100 1.00 0.00 N ATOM 538 CA ARG A 36 10.561 20.435 6.919 1.00 0.00 C ATOM 539 C ARG A 36 10.806 18.929 6.944 1.00 0.00 C ATOM 540 O ARG A 36 10.000 18.149 6.437 1.00 0.00 O ATOM 541 CB ARG A 36 11.161 21.039 5.648 1.00 0.00 C ATOM 542 CG ARG A 36 10.368 22.213 5.098 1.00 0.00 C ATOM 543 CD ARG A 36 11.026 22.798 3.857 1.00 0.00 C ATOM 544 NE ARG A 36 10.933 24.255 3.823 1.00 0.00 N ATOM 545 CZ ARG A 36 11.633 25.017 2.992 1.00 0.00 C ATOM 546 NH1 ARG A 36 12.475 24.463 2.129 1.00 0.00 N ATOM 547 NH2 ARG A 36 11.494 26.335 3.021 1.00 0.00 N ATOM 0 H ARG A 36 12.100 21.367 7.995 1.00 0.00 H new ATOM 0 HA ARG A 36 9.485 20.611 6.924 1.00 0.00 H new ATOM 0 HB2 ARG A 36 12.180 21.366 5.857 1.00 0.00 H new ATOM 0 HB3 ARG A 36 11.225 20.265 4.883 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.356 21.888 4.856 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.281 22.985 5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.074 22.501 3.829 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.553 22.384 2.967 1.00 0.00 H new ATOM 0 HE ARG A 36 10.295 24.712 4.474 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.585 23.449 2.103 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.012 25.051 1.491 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.848 26.765 3.683 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.033 26.919 2.381 1.00 0.00 H new ATOM 561 N LYS A 37 11.924 18.527 7.538 1.00 0.00 N ATOM 562 CA LYS A 37 12.275 17.115 7.631 1.00 0.00 C ATOM 563 C LYS A 37 11.128 16.306 8.227 1.00 0.00 C ATOM 564 O LYS A 37 10.664 16.587 9.332 1.00 0.00 O ATOM 565 CB LYS A 37 13.535 16.937 8.483 1.00 0.00 C ATOM 566 CG LYS A 37 14.811 16.829 7.666 1.00 0.00 C ATOM 567 CD LYS A 37 16.046 16.996 8.535 1.00 0.00 C ATOM 568 CE LYS A 37 16.553 18.430 8.517 1.00 0.00 C ATOM 569 NZ LYS A 37 18.021 18.497 8.284 1.00 0.00 N ATOM 0 H LYS A 37 12.603 19.159 7.962 1.00 0.00 H new ATOM 0 HA LYS A 37 12.469 16.748 6.623 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.622 17.780 9.168 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.427 16.040 9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.844 15.860 7.168 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.809 17.589 6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.813 16.705 9.559 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.832 16.327 8.184 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.036 18.988 7.737 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.314 18.912 9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.327 19.491 8.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.517 17.986 9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.247 18.061 7.368 1.00 0.00 H new ATOM 583 N THR A 38 10.674 15.299 7.488 1.00 0.00 N ATOM 584 CA THR A 38 9.581 14.448 7.944 1.00 0.00 C ATOM 585 C THR A 38 9.979 12.977 7.911 1.00 0.00 C ATOM 586 O THR A 38 10.834 12.571 7.122 1.00 0.00 O ATOM 587 CB THR A 38 8.319 14.647 7.084 1.00 0.00 C ATOM 588 OG1 THR A 38 8.217 16.015 6.673 1.00 0.00 O ATOM 589 CG2 THR A 38 7.070 14.250 7.856 1.00 0.00 C ATOM 0 H THR A 38 11.046 15.052 6.571 1.00 0.00 H new ATOM 0 HA THR A 38 9.361 14.738 8.971 1.00 0.00 H new ATOM 0 HB THR A 38 8.401 14.009 6.204 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.868 16.057 5.758 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.191 14.399 7.228 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.137 13.200 8.142 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.985 14.866 8.752 1.00 0.00 H new ATOM 597 N LEU A 39 9.353 12.180 8.770 1.00 0.00 N ATOM 598 CA LEU A 39 9.639 10.752 8.837 1.00 0.00 C ATOM 599 C LEU A 39 8.362 9.932 8.695 1.00 0.00 C ATOM 600 O LEU A 39 7.302 10.322 9.186 1.00 0.00 O ATOM 601 CB LEU A 39 10.333 10.413 10.159 1.00 0.00 C ATOM 602 CG LEU A 39 11.523 11.296 10.537 1.00 0.00 C ATOM 603 CD1 LEU A 39 11.100 12.366 11.531 1.00 0.00 C ATOM 604 CD2 LEU A 39 12.651 10.451 11.110 1.00 0.00 C ATOM 0 H LEU A 39 8.644 12.499 9.430 1.00 0.00 H new ATOM 0 HA LEU A 39 10.302 10.501 8.010 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.595 10.470 10.959 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.674 9.379 10.113 1.00 0.00 H new ATOM 0 HG LEU A 39 11.886 11.790 9.635 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.960 12.984 11.788 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.325 12.990 11.086 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.712 11.892 12.432 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.490 11.095 11.374 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.299 9.930 12.001 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.973 9.722 10.367 1.00 0.00 H new ATOM 616 N THR A 40 8.468 8.790 8.023 1.00 0.00 N ATOM 617 CA THR A 40 7.322 7.913 7.817 1.00 0.00 C ATOM 618 C THR A 40 7.754 6.455 7.735 1.00 0.00 C ATOM 619 O THR A 40 8.717 6.118 7.046 1.00 0.00 O ATOM 620 CB THR A 40 6.556 8.284 6.532 1.00 0.00 C ATOM 621 OG1 THR A 40 6.364 9.702 6.467 1.00 0.00 O ATOM 622 CG2 THR A 40 5.206 7.582 6.488 1.00 0.00 C ATOM 0 H THR A 40 9.337 8.450 7.612 1.00 0.00 H new ATOM 0 HA THR A 40 6.663 8.045 8.675 1.00 0.00 H new ATOM 0 HB THR A 40 7.147 7.959 5.676 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.878 9.929 5.647 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.682 7.858 5.573 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.356 6.503 6.509 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.612 7.882 7.351 1.00 0.00 H new ATOM 630 N THR A 41 7.035 5.588 8.443 1.00 0.00 N ATOM 631 CA THR A 41 7.344 4.164 8.452 1.00 0.00 C ATOM 632 C THR A 41 6.250 3.361 7.756 1.00 0.00 C ATOM 633 O THR A 41 5.112 3.815 7.640 1.00 0.00 O ATOM 634 CB THR A 41 7.520 3.635 9.887 1.00 0.00 C ATOM 635 OG1 THR A 41 6.544 4.227 10.750 1.00 0.00 O ATOM 636 CG2 THR A 41 8.916 3.941 10.409 1.00 0.00 C ATOM 0 H THR A 41 6.234 5.849 9.018 1.00 0.00 H new ATOM 0 HA THR A 41 8.282 4.041 7.911 1.00 0.00 H new ATOM 0 HB THR A 41 7.383 2.554 9.871 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.904 4.741 10.215 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.017 3.558 11.424 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.657 3.466 9.766 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.076 5.019 10.411 1.00 0.00 H new ATOM 644 N VAL A 42 6.603 2.164 7.297 1.00 0.00 N ATOM 645 CA VAL A 42 5.651 1.297 6.615 1.00 0.00 C ATOM 646 C VAL A 42 5.953 -0.173 6.889 1.00 0.00 C ATOM 647 O VAL A 42 7.114 -0.571 6.986 1.00 0.00 O ATOM 648 CB VAL A 42 5.663 1.535 5.093 1.00 0.00 C ATOM 649 CG1 VAL A 42 4.632 0.655 4.405 1.00 0.00 C ATOM 650 CG2 VAL A 42 5.412 3.004 4.784 1.00 0.00 C ATOM 0 H VAL A 42 7.541 1.773 7.385 1.00 0.00 H new ATOM 0 HA VAL A 42 4.664 1.543 7.006 1.00 0.00 H new ATOM 0 HB VAL A 42 6.647 1.267 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.656 0.838 3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.860 -0.393 4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.639 0.888 4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.424 3.156 3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.441 3.299 5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.192 3.611 5.244 1.00 0.00 H new ATOM 660 N GLN A 43 4.899 -0.975 7.011 1.00 0.00 N ATOM 661 CA GLN A 43 5.053 -2.401 7.274 1.00 0.00 C ATOM 662 C GLN A 43 4.060 -3.216 6.450 1.00 0.00 C ATOM 663 O GLN A 43 3.099 -2.676 5.905 1.00 0.00 O ATOM 664 CB GLN A 43 4.855 -2.690 8.763 1.00 0.00 C ATOM 665 CG GLN A 43 5.397 -4.043 9.195 1.00 0.00 C ATOM 666 CD GLN A 43 4.316 -5.102 9.289 1.00 0.00 C ATOM 667 OE1 GLN A 43 4.374 -6.127 8.609 1.00 0.00 O ATOM 668 NE2 GLN A 43 3.321 -4.860 10.134 1.00 0.00 N ATOM 0 H GLN A 43 3.931 -0.662 6.932 1.00 0.00 H new ATOM 0 HA GLN A 43 6.063 -2.692 6.985 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.344 -1.909 9.345 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.791 -2.642 8.996 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.158 -4.368 8.486 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.886 -3.942 10.164 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.312 -3.997 10.678 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.565 -5.537 10.239 1.00 0.00 H new ATOM 677 N GLY A 44 4.302 -4.521 6.363 1.00 0.00 N ATOM 678 CA GLY A 44 3.421 -5.389 5.603 1.00 0.00 C ATOM 679 C GLY A 44 4.022 -5.805 4.275 1.00 0.00 C ATOM 680 O GLY A 44 3.341 -6.390 3.434 1.00 0.00 O ATOM 0 H GLY A 44 5.092 -4.992 6.805 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.196 -6.279 6.191 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.475 -4.877 5.426 1.00 0.00 H new ATOM 684 N VAL A 45 5.300 -5.498 4.084 1.00 0.00 N ATOM 685 CA VAL A 45 5.994 -5.844 2.848 1.00 0.00 C ATOM 686 C VAL A 45 6.110 -7.355 2.687 1.00 0.00 C ATOM 687 O VAL A 45 6.482 -8.075 3.613 1.00 0.00 O ATOM 688 CB VAL A 45 7.402 -5.223 2.800 1.00 0.00 C ATOM 689 CG1 VAL A 45 8.097 -5.571 1.493 1.00 0.00 C ATOM 690 CG2 VAL A 45 7.327 -3.715 2.989 1.00 0.00 C ATOM 0 H VAL A 45 5.877 -5.010 4.769 1.00 0.00 H new ATOM 0 HA VAL A 45 5.400 -5.439 2.029 1.00 0.00 H new ATOM 0 HB VAL A 45 7.990 -5.640 3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.090 -5.123 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.186 -6.654 1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.513 -5.186 0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.331 -3.293 2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.721 -3.279 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.875 -3.491 3.955 1.00 0.00 H new ATOM 700 N PRO A 46 5.787 -7.849 1.483 1.00 0.00 N ATOM 701 CA PRO A 46 5.849 -9.280 1.171 1.00 0.00 C ATOM 702 C PRO A 46 7.281 -9.798 1.107 1.00 0.00 C ATOM 703 O PRO A 46 8.235 -9.031 1.239 1.00 0.00 O ATOM 704 CB PRO A 46 5.185 -9.372 -0.205 1.00 0.00 C ATOM 705 CG PRO A 46 5.378 -8.025 -0.810 1.00 0.00 C ATOM 706 CD PRO A 46 5.336 -7.049 0.331 1.00 0.00 C ATOM 0 HA PRO A 46 5.362 -9.885 1.936 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.645 -10.149 -0.815 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.127 -9.619 -0.118 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.330 -7.967 -1.338 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.596 -7.808 -1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.991 -6.196 0.154 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.332 -6.654 0.485 1.00 0.00 H new ATOM 714 N GLU A 47 7.426 -11.104 0.905 1.00 0.00 N ATOM 715 CA GLU A 47 8.744 -11.723 0.824 1.00 0.00 C ATOM 716 C GLU A 47 9.423 -11.386 -0.500 1.00 0.00 C ATOM 717 O GLU A 47 10.647 -11.294 -0.576 1.00 0.00 O ATOM 718 CB GLU A 47 8.629 -13.241 0.979 1.00 0.00 C ATOM 719 CG GLU A 47 9.844 -13.879 1.630 1.00 0.00 C ATOM 720 CD GLU A 47 9.892 -13.651 3.128 1.00 0.00 C ATOM 721 OE1 GLU A 47 9.037 -14.215 3.843 1.00 0.00 O ATOM 722 OE2 GLU A 47 10.785 -12.907 3.586 1.00 0.00 O ATOM 0 H GLU A 47 6.647 -11.754 0.794 1.00 0.00 H new ATOM 0 HA GLU A 47 9.354 -11.327 1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.745 -13.471 1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.477 -13.688 -0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.838 -14.950 1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.749 -13.475 1.176 1.00 0.00 H new ATOM 729 N GLU A 48 8.618 -11.204 -1.544 1.00 0.00 N ATOM 730 CA GLU A 48 9.141 -10.880 -2.865 1.00 0.00 C ATOM 731 C GLU A 48 9.927 -9.572 -2.832 1.00 0.00 C ATOM 732 O GLU A 48 10.716 -9.288 -3.732 1.00 0.00 O ATOM 733 CB GLU A 48 7.999 -10.776 -3.878 1.00 0.00 C ATOM 734 CG GLU A 48 8.273 -11.510 -5.181 1.00 0.00 C ATOM 735 CD GLU A 48 7.050 -11.590 -6.073 1.00 0.00 C ATOM 736 OE1 GLU A 48 6.101 -12.319 -5.715 1.00 0.00 O ATOM 737 OE2 GLU A 48 7.042 -10.924 -7.130 1.00 0.00 O ATOM 0 H GLU A 48 7.602 -11.276 -1.499 1.00 0.00 H new ATOM 0 HA GLU A 48 9.814 -11.682 -3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.089 -11.176 -3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.812 -9.724 -4.095 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.076 -11.004 -5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.623 -12.518 -4.959 1.00 0.00 H new ATOM 744 N TYR A 49 9.704 -8.781 -1.789 1.00 0.00 N ATOM 745 CA TYR A 49 10.389 -7.502 -1.639 1.00 0.00 C ATOM 746 C TYR A 49 11.050 -7.395 -0.269 1.00 0.00 C ATOM 747 O TYR A 49 10.379 -7.178 0.741 1.00 0.00 O ATOM 748 CB TYR A 49 9.405 -6.348 -1.836 1.00 0.00 C ATOM 749 CG TYR A 49 9.980 -5.189 -2.620 1.00 0.00 C ATOM 750 CD1 TYR A 49 10.555 -5.387 -3.868 1.00 0.00 C ATOM 751 CD2 TYR A 49 9.944 -3.897 -2.112 1.00 0.00 C ATOM 752 CE1 TYR A 49 11.082 -4.332 -4.587 1.00 0.00 C ATOM 753 CE2 TYR A 49 10.468 -2.834 -2.825 1.00 0.00 C ATOM 754 CZ TYR A 49 11.036 -3.058 -4.062 1.00 0.00 C ATOM 755 OH TYR A 49 11.558 -2.004 -4.776 1.00 0.00 O ATOM 0 H TYR A 49 9.054 -9.002 -1.035 1.00 0.00 H new ATOM 0 HA TYR A 49 11.166 -7.442 -2.401 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.520 -6.720 -2.351 1.00 0.00 H new ATOM 0 HB3 TYR A 49 9.079 -5.989 -0.860 1.00 0.00 H new ATOM 0 HD1 TYR A 49 10.591 -6.383 -4.284 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.499 -3.719 -1.144 1.00 0.00 H new ATOM 0 HE1 TYR A 49 11.528 -4.504 -5.556 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.433 -1.835 -2.416 1.00 0.00 H new ATOM 0 HH TYR A 49 11.240 -1.160 -4.393 1.00 0.00 H new ATOM 765 N ASP A 50 12.368 -7.547 -0.242 1.00 0.00 N ATOM 766 CA ASP A 50 13.124 -7.466 1.003 1.00 0.00 C ATOM 767 C ASP A 50 13.516 -6.024 1.309 1.00 0.00 C ATOM 768 O ASP A 50 13.187 -5.107 0.553 1.00 0.00 O ATOM 769 CB ASP A 50 14.373 -8.343 0.926 1.00 0.00 C ATOM 770 CG ASP A 50 14.066 -9.812 1.153 1.00 0.00 C ATOM 771 OD1 ASP A 50 12.968 -10.115 1.663 1.00 0.00 O ATOM 772 OD2 ASP A 50 14.924 -10.654 0.818 1.00 0.00 O ATOM 0 H ASP A 50 12.937 -7.727 -1.069 1.00 0.00 H new ATOM 0 HA ASP A 50 12.486 -7.828 1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.840 -8.219 -0.051 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.096 -8.007 1.670 1.00 0.00 H new ATOM 777 N LEU A 51 14.221 -5.829 2.417 1.00 0.00 N ATOM 778 CA LEU A 51 14.658 -4.498 2.823 1.00 0.00 C ATOM 779 C LEU A 51 15.752 -3.979 1.895 1.00 0.00 C ATOM 780 O LEU A 51 15.918 -2.770 1.729 1.00 0.00 O ATOM 781 CB LEU A 51 15.166 -4.524 4.265 1.00 0.00 C ATOM 782 CG LEU A 51 14.095 -4.476 5.356 1.00 0.00 C ATOM 783 CD1 LEU A 51 13.254 -3.216 5.222 1.00 0.00 C ATOM 784 CD2 LEU A 51 13.215 -5.715 5.294 1.00 0.00 C ATOM 0 H LEU A 51 14.503 -6.576 3.051 1.00 0.00 H new ATOM 0 HA LEU A 51 13.803 -3.826 2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.757 -5.429 4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.839 -3.678 4.407 1.00 0.00 H new ATOM 0 HG LEU A 51 14.592 -4.456 6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.497 -3.199 6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 51 13.895 -2.339 5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.767 -3.206 4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.459 -5.664 6.077 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.727 -5.766 4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.828 -6.604 5.439 1.00 0.00 H new ATOM 796 N LYS A 52 16.495 -4.900 1.291 1.00 0.00 N ATOM 797 CA LYS A 52 17.571 -4.538 0.377 1.00 0.00 C ATOM 798 C LYS A 52 17.017 -4.164 -0.994 1.00 0.00 C ATOM 799 O LYS A 52 17.560 -3.295 -1.677 1.00 0.00 O ATOM 800 CB LYS A 52 18.565 -5.695 0.240 1.00 0.00 C ATOM 801 CG LYS A 52 19.728 -5.391 -0.687 1.00 0.00 C ATOM 802 CD LYS A 52 20.567 -6.629 -0.954 1.00 0.00 C ATOM 803 CE LYS A 52 21.768 -6.701 -0.024 1.00 0.00 C ATOM 804 NZ LYS A 52 22.850 -7.558 -0.580 1.00 0.00 N ATOM 0 H LYS A 52 16.371 -5.904 1.419 1.00 0.00 H new ATOM 0 HA LYS A 52 18.088 -3.671 0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.954 -5.947 1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.037 -6.574 -0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.349 -4.997 -1.630 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.353 -4.615 -0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.953 -7.520 -0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.907 -6.622 -1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.154 -5.696 0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 52 21.455 -7.094 0.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 23.650 -7.581 0.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.490 -8.523 -0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.167 -7.169 -1.491 1.00 0.00 H new ATOM 818 N ARG A 53 15.934 -4.825 -1.390 1.00 0.00 N ATOM 819 CA ARG A 53 15.308 -4.561 -2.680 1.00 0.00 C ATOM 820 C ARG A 53 14.541 -3.242 -2.652 1.00 0.00 C ATOM 821 O ARG A 53 14.478 -2.529 -3.654 1.00 0.00 O ATOM 822 CB ARG A 53 14.364 -5.705 -3.055 1.00 0.00 C ATOM 823 CG ARG A 53 14.039 -5.765 -4.539 1.00 0.00 C ATOM 824 CD ARG A 53 15.109 -6.518 -5.314 1.00 0.00 C ATOM 825 NE ARG A 53 15.459 -5.844 -6.560 1.00 0.00 N ATOM 826 CZ ARG A 53 16.343 -6.320 -7.431 1.00 0.00 C ATOM 827 NH1 ARG A 53 16.959 -7.469 -7.193 1.00 0.00 N ATOM 828 NH2 ARG A 53 16.608 -5.647 -8.543 1.00 0.00 N ATOM 0 H ARG A 53 15.472 -5.547 -0.836 1.00 0.00 H new ATOM 0 HA ARG A 53 16.095 -4.487 -3.430 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.814 -6.650 -2.752 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.436 -5.599 -2.493 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.074 -6.252 -4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.947 -4.753 -4.934 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.000 -6.621 -4.695 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.756 -7.525 -5.534 1.00 0.00 H new ATOM 0 HE ARG A 53 15.000 -4.959 -6.774 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.755 -7.990 -6.340 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.637 -7.832 -7.863 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.133 -4.764 -8.730 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.286 -6.013 -9.211 1.00 0.00 H new ATOM 842 N ILE A 54 13.959 -2.926 -1.501 1.00 0.00 N ATOM 843 CA ILE A 54 13.198 -1.693 -1.342 1.00 0.00 C ATOM 844 C ILE A 54 14.121 -0.502 -1.107 1.00 0.00 C ATOM 845 O ILE A 54 13.823 0.619 -1.519 1.00 0.00 O ATOM 846 CB ILE A 54 12.200 -1.794 -0.174 1.00 0.00 C ATOM 847 CG1 ILE A 54 11.323 -0.541 -0.113 1.00 0.00 C ATOM 848 CG2 ILE A 54 12.942 -1.991 1.139 1.00 0.00 C ATOM 849 CD1 ILE A 54 9.845 -0.843 0.005 1.00 0.00 C ATOM 0 H ILE A 54 14.000 -3.507 -0.664 1.00 0.00 H new ATOM 0 HA ILE A 54 12.645 -1.542 -2.269 1.00 0.00 H new ATOM 0 HB ILE A 54 11.556 -2.658 -0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.630 0.067 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.493 0.056 -1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.224 -2.061 1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.528 -2.909 1.092 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.607 -1.145 1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.285 0.091 0.043 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.522 -1.425 -0.859 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.662 -1.413 0.916 1.00 0.00 H new ATOM 861 N LEU A 55 15.244 -0.754 -0.444 1.00 0.00 N ATOM 862 CA LEU A 55 16.214 0.296 -0.155 1.00 0.00 C ATOM 863 C LEU A 55 17.047 0.623 -1.390 1.00 0.00 C ATOM 864 O LEU A 55 17.508 1.751 -1.562 1.00 0.00 O ATOM 865 CB LEU A 55 17.129 -0.128 0.993 1.00 0.00 C ATOM 866 CG LEU A 55 18.334 0.773 1.262 1.00 0.00 C ATOM 867 CD1 LEU A 55 17.878 2.153 1.714 1.00 0.00 C ATOM 868 CD2 LEU A 55 19.250 0.145 2.302 1.00 0.00 C ATOM 0 H LEU A 55 15.505 -1.677 -0.096 1.00 0.00 H new ATOM 0 HA LEU A 55 15.665 1.191 0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.533 -0.184 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.493 -1.135 0.788 1.00 0.00 H new ATOM 0 HG LEU A 55 18.895 0.883 0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 55 18.749 2.781 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 55 17.264 2.606 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 55 17.294 2.061 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 55 20.102 0.801 2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 55 18.701 0.003 3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 55 19.605 -0.820 1.939 1.00 0.00 H new ATOM 880 N LYS A 56 17.235 -0.372 -2.251 1.00 0.00 N ATOM 881 CA LYS A 56 18.010 -0.193 -3.473 1.00 0.00 C ATOM 882 C LYS A 56 17.169 0.474 -4.556 1.00 0.00 C ATOM 883 O LYS A 56 17.658 1.323 -5.303 1.00 0.00 O ATOM 884 CB LYS A 56 18.531 -1.540 -3.973 1.00 0.00 C ATOM 885 CG LYS A 56 19.590 -1.419 -5.057 1.00 0.00 C ATOM 886 CD LYS A 56 20.374 -2.709 -5.218 1.00 0.00 C ATOM 887 CE LYS A 56 20.084 -3.375 -6.556 1.00 0.00 C ATOM 888 NZ LYS A 56 21.174 -4.306 -6.958 1.00 0.00 N ATOM 0 H LYS A 56 16.860 -1.312 -2.124 1.00 0.00 H new ATOM 0 HA LYS A 56 18.857 0.454 -3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 56 18.946 -2.094 -3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 56 17.695 -2.124 -4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 56 19.115 -1.161 -6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 56 20.273 -0.606 -4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.441 -2.500 -5.138 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.122 -3.393 -4.408 1.00 0.00 H new ATOM 0 HE2 LYS A 56 19.143 -3.922 -6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 56 19.958 -2.611 -7.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 20.940 -4.740 -7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 22.067 -3.779 -7.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 21.278 -5.050 -6.239 1.00 0.00 H new ATOM 902 N VAL A 57 15.899 0.087 -4.636 1.00 0.00 N ATOM 903 CA VAL A 57 14.991 0.649 -5.627 1.00 0.00 C ATOM 904 C VAL A 57 14.571 2.066 -5.249 1.00 0.00 C ATOM 905 O VAL A 57 14.453 2.940 -6.106 1.00 0.00 O ATOM 906 CB VAL A 57 13.729 -0.222 -5.790 1.00 0.00 C ATOM 907 CG1 VAL A 57 12.713 0.472 -6.683 1.00 0.00 C ATOM 908 CG2 VAL A 57 14.096 -1.589 -6.347 1.00 0.00 C ATOM 0 H VAL A 57 15.477 -0.613 -4.026 1.00 0.00 H new ATOM 0 HA VAL A 57 15.532 0.674 -6.573 1.00 0.00 H new ATOM 0 HB VAL A 57 13.276 -0.364 -4.809 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.829 -0.158 -6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 57 12.429 1.426 -6.238 1.00 0.00 H new ATOM 0 HG13 VAL A 57 13.151 0.646 -7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.194 -2.192 -6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.572 -1.469 -7.320 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.785 -2.087 -5.665 1.00 0.00 H new ATOM 918 N LEU A 58 14.345 2.283 -3.957 1.00 0.00 N ATOM 919 CA LEU A 58 13.939 3.594 -3.463 1.00 0.00 C ATOM 920 C LEU A 58 15.098 4.584 -3.528 1.00 0.00 C ATOM 921 O LEU A 58 14.921 5.737 -3.924 1.00 0.00 O ATOM 922 CB LEU A 58 13.430 3.484 -2.024 1.00 0.00 C ATOM 923 CG LEU A 58 12.041 2.867 -1.849 1.00 0.00 C ATOM 924 CD1 LEU A 58 11.697 2.736 -0.374 1.00 0.00 C ATOM 925 CD2 LEU A 58 10.994 3.700 -2.572 1.00 0.00 C ATOM 0 H LEU A 58 14.436 1.569 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 58 13.135 3.961 -4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.144 2.891 -1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.420 4.482 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 58 12.049 1.869 -2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.706 2.295 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.432 2.097 0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.707 3.722 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.012 3.247 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 58 10.987 4.710 -2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.232 3.741 -3.635 1.00 0.00 H new ATOM 937 N LYS A 59 16.282 4.126 -3.140 1.00 0.00 N ATOM 938 CA LYS A 59 17.472 4.970 -3.159 1.00 0.00 C ATOM 939 C LYS A 59 17.898 5.280 -4.590 1.00 0.00 C ATOM 940 O LYS A 59 18.428 6.354 -4.874 1.00 0.00 O ATOM 941 CB LYS A 59 18.620 4.286 -2.410 1.00 0.00 C ATOM 942 CG LYS A 59 19.808 5.196 -2.158 1.00 0.00 C ATOM 943 CD LYS A 59 20.921 4.468 -1.423 1.00 0.00 C ATOM 944 CE LYS A 59 22.168 4.341 -2.286 1.00 0.00 C ATOM 945 NZ LYS A 59 23.295 3.714 -1.542 1.00 0.00 N ATOM 0 H LYS A 59 16.444 3.175 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 59 17.229 5.908 -2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.249 3.914 -1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 59 18.951 3.420 -2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 59 20.185 5.575 -3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 59 19.489 6.059 -1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 59 21.165 5.005 -0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 59 20.577 3.476 -1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 59 21.939 3.745 -3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 59 22.469 5.328 -2.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 24.126 3.645 -2.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 23.530 4.296 -0.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 23.017 2.762 -1.229 1.00 0.00 H new ATOM 959 N LYS A 60 17.664 4.331 -5.491 1.00 0.00 N ATOM 960 CA LYS A 60 18.020 4.502 -6.894 1.00 0.00 C ATOM 961 C LYS A 60 16.935 5.272 -7.641 1.00 0.00 C ATOM 962 O LYS A 60 17.214 5.962 -8.623 1.00 0.00 O ATOM 963 CB LYS A 60 18.242 3.139 -7.555 1.00 0.00 C ATOM 964 CG LYS A 60 19.553 2.480 -7.164 1.00 0.00 C ATOM 965 CD LYS A 60 20.544 2.483 -8.318 1.00 0.00 C ATOM 966 CE LYS A 60 21.485 3.675 -8.239 1.00 0.00 C ATOM 967 NZ LYS A 60 20.993 4.826 -9.044 1.00 0.00 N ATOM 0 H LYS A 60 17.229 3.435 -5.273 1.00 0.00 H new ATOM 0 HA LYS A 60 18.945 5.076 -6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 60 17.418 2.477 -7.288 1.00 0.00 H new ATOM 0 HB3 LYS A 60 18.215 3.261 -8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 60 19.985 3.004 -6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 60 19.365 1.454 -6.847 1.00 0.00 H new ATOM 0 HD2 LYS A 60 21.123 1.559 -8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 60 20.003 2.507 -9.264 1.00 0.00 H new ATOM 0 HE2 LYS A 60 21.596 3.981 -7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 60 22.473 3.381 -8.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 21.532 5.680 -8.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 21.118 4.621 -10.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 19.984 4.983 -8.845 1.00 0.00 H new ATOM 981 N ASP A 61 15.700 5.149 -7.170 1.00 0.00 N ATOM 982 CA ASP A 61 14.572 5.835 -7.792 1.00 0.00 C ATOM 983 C ASP A 61 14.665 7.342 -7.573 1.00 0.00 C ATOM 984 O ASP A 61 14.849 8.107 -8.518 1.00 0.00 O ATOM 985 CB ASP A 61 13.252 5.305 -7.231 1.00 0.00 C ATOM 986 CG ASP A 61 12.055 6.088 -7.732 1.00 0.00 C ATOM 987 OD1 ASP A 61 12.035 6.438 -8.931 1.00 0.00 O ATOM 988 OD2 ASP A 61 11.137 6.349 -6.926 1.00 0.00 O ATOM 0 H ASP A 61 15.453 4.581 -6.360 1.00 0.00 H new ATOM 0 HA ASP A 61 14.606 5.639 -8.864 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.138 4.257 -7.507 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.280 5.347 -6.142 1.00 0.00 H new ATOM 993 N PHE A 62 14.535 7.760 -6.318 1.00 0.00 N ATOM 994 CA PHE A 62 14.604 9.176 -5.974 1.00 0.00 C ATOM 995 C PHE A 62 15.369 9.383 -4.671 1.00 0.00 C ATOM 996 O PHE A 62 15.068 10.293 -3.899 1.00 0.00 O ATOM 997 CB PHE A 62 13.194 9.760 -5.849 1.00 0.00 C ATOM 998 CG PHE A 62 12.497 9.932 -7.168 1.00 0.00 C ATOM 999 CD1 PHE A 62 13.111 10.616 -8.206 1.00 0.00 C ATOM 1000 CD2 PHE A 62 11.230 9.411 -7.371 1.00 0.00 C ATOM 1001 CE1 PHE A 62 12.471 10.776 -9.421 1.00 0.00 C ATOM 1002 CE2 PHE A 62 10.586 9.568 -8.584 1.00 0.00 C ATOM 1003 CZ PHE A 62 11.208 10.252 -9.611 1.00 0.00 C ATOM 0 H PHE A 62 14.381 7.139 -5.523 1.00 0.00 H new ATOM 0 HA PHE A 62 15.136 9.693 -6.772 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.595 9.109 -5.213 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.253 10.727 -5.350 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.099 11.028 -8.064 1.00 0.00 H new ATOM 0 HD2 PHE A 62 10.739 8.876 -6.572 1.00 0.00 H new ATOM 0 HE1 PHE A 62 12.959 11.311 -10.222 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.598 9.157 -8.729 1.00 0.00 H new ATOM 0 HZ PHE A 62 10.707 10.376 -10.560 1.00 0.00 H new ATOM 1013 N ALA A 63 16.361 8.533 -4.433 1.00 0.00 N ATOM 1014 CA ALA A 63 17.173 8.623 -3.225 1.00 0.00 C ATOM 1015 C ALA A 63 16.296 8.689 -1.979 1.00 0.00 C ATOM 1016 O ALA A 63 16.310 9.681 -1.252 1.00 0.00 O ATOM 1017 CB ALA A 63 18.088 9.836 -3.294 1.00 0.00 C ATOM 0 H ALA A 63 16.623 7.773 -5.061 1.00 0.00 H new ATOM 0 HA ALA A 63 17.785 7.724 -3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.688 9.891 -2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.745 9.747 -4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.487 10.740 -3.387 1.00 0.00 H new ATOM 1023 N CYS A 64 15.536 7.626 -1.740 1.00 0.00 N ATOM 1024 CA CYS A 64 14.650 7.565 -0.582 1.00 0.00 C ATOM 1025 C CYS A 64 15.265 6.715 0.526 1.00 0.00 C ATOM 1026 O CYS A 64 15.106 5.496 0.548 1.00 0.00 O ATOM 1027 CB CYS A 64 13.290 6.994 -0.985 1.00 0.00 C ATOM 1028 SG CYS A 64 11.921 8.166 -0.828 1.00 0.00 S ATOM 0 H CYS A 64 15.515 6.795 -2.332 1.00 0.00 H new ATOM 0 HA CYS A 64 14.512 8.578 -0.205 1.00 0.00 H new ATOM 0 HB2 CYS A 64 13.344 6.651 -2.018 1.00 0.00 H new ATOM 0 HB3 CYS A 64 13.078 6.120 -0.369 1.00 0.00 H new ATOM 0 HG CYS A 64 12.019 9.074 -1.753 1.00 0.00 H new ATOM 1034 N ASN A 65 15.967 7.370 1.444 1.00 0.00 N ATOM 1035 CA ASN A 65 16.608 6.675 2.555 1.00 0.00 C ATOM 1036 C ASN A 65 15.614 5.767 3.274 1.00 0.00 C ATOM 1037 O ASN A 65 14.767 6.234 4.036 1.00 0.00 O ATOM 1038 CB ASN A 65 17.199 7.684 3.542 1.00 0.00 C ATOM 1039 CG ASN A 65 18.699 7.840 3.378 1.00 0.00 C ATOM 1040 OD1 ASN A 65 19.480 7.078 3.947 1.00 0.00 O ATOM 1041 ND2 ASN A 65 19.107 8.834 2.597 1.00 0.00 N ATOM 0 H ASN A 65 16.107 8.380 1.441 1.00 0.00 H new ATOM 0 HA ASN A 65 17.411 6.058 2.151 1.00 0.00 H new ATOM 0 HB2 ASN A 65 16.718 8.652 3.400 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.979 7.364 4.560 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.104 8.990 2.449 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.423 9.441 2.145 1.00 0.00 H new ATOM 1048 N GLY A 66 15.724 4.465 3.027 1.00 0.00 N ATOM 1049 CA GLY A 66 14.830 3.512 3.658 1.00 0.00 C ATOM 1050 C GLY A 66 15.509 2.720 4.758 1.00 0.00 C ATOM 1051 O GLY A 66 16.206 1.742 4.487 1.00 0.00 O ATOM 0 H GLY A 66 16.416 4.053 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.973 4.042 4.073 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.446 2.825 2.904 1.00 0.00 H new ATOM 1055 N ASN A 67 15.307 3.142 6.002 1.00 0.00 N ATOM 1056 CA ASN A 67 15.907 2.466 7.145 1.00 0.00 C ATOM 1057 C ASN A 67 15.091 1.240 7.543 1.00 0.00 C ATOM 1058 O ASN A 67 13.999 1.013 7.022 1.00 0.00 O ATOM 1059 CB ASN A 67 16.018 3.427 8.331 1.00 0.00 C ATOM 1060 CG ASN A 67 16.318 4.848 7.898 1.00 0.00 C ATOM 1061 OD1 ASN A 67 15.408 5.648 7.680 1.00 0.00 O ATOM 1062 ND2 ASN A 67 17.601 5.169 7.771 1.00 0.00 N ATOM 0 H ASN A 67 14.732 3.949 6.244 1.00 0.00 H new ATOM 0 HA ASN A 67 16.906 2.137 6.858 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.086 3.411 8.896 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.804 3.081 9.003 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.865 6.111 7.482 1.00 0.00 H new ATOM 0 HD22 ASN A 67 18.322 4.473 7.962 1.00 0.00 H new ATOM 1069 N ILE A 68 15.627 0.453 8.470 1.00 0.00 N ATOM 1070 CA ILE A 68 14.948 -0.747 8.939 1.00 0.00 C ATOM 1071 C ILE A 68 14.908 -0.797 10.462 1.00 0.00 C ATOM 1072 O ILE A 68 15.930 -0.626 11.126 1.00 0.00 O ATOM 1073 CB ILE A 68 15.632 -2.024 8.413 1.00 0.00 C ATOM 1074 CG1 ILE A 68 15.873 -1.915 6.905 1.00 0.00 C ATOM 1075 CG2 ILE A 68 14.787 -3.248 8.732 1.00 0.00 C ATOM 1076 CD1 ILE A 68 17.210 -1.305 6.550 1.00 0.00 C ATOM 0 H ILE A 68 16.530 0.626 8.911 1.00 0.00 H new ATOM 0 HA ILE A 68 13.930 -0.704 8.552 1.00 0.00 H new ATOM 0 HB ILE A 68 16.596 -2.133 8.910 1.00 0.00 H new ATOM 0 HG12 ILE A 68 15.807 -2.909 6.462 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.079 -1.314 6.461 1.00 0.00 H new ATOM 0 HG21 ILE A 68 15.284 -4.142 8.354 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.661 -3.332 9.811 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.810 -3.149 8.259 1.00 0.00 H new ATOM 0 HD11 ILE A 68 17.313 -1.259 5.466 1.00 0.00 H new ATOM 0 HD12 ILE A 68 17.272 -0.298 6.963 1.00 0.00 H new ATOM 0 HD13 ILE A 68 18.011 -1.917 6.964 1.00 0.00 H new ATOM 1088 N VAL A 69 13.721 -1.036 11.011 1.00 0.00 N ATOM 1089 CA VAL A 69 13.548 -1.112 12.456 1.00 0.00 C ATOM 1090 C VAL A 69 12.805 -2.382 12.854 1.00 0.00 C ATOM 1091 O VAL A 69 12.262 -3.090 12.006 1.00 0.00 O ATOM 1092 CB VAL A 69 12.778 0.109 12.994 1.00 0.00 C ATOM 1093 CG1 VAL A 69 13.215 0.432 14.414 1.00 0.00 C ATOM 1094 CG2 VAL A 69 12.978 1.309 12.080 1.00 0.00 C ATOM 0 H VAL A 69 12.865 -1.180 10.476 1.00 0.00 H new ATOM 0 HA VAL A 69 14.546 -1.125 12.894 1.00 0.00 H new ATOM 0 HB VAL A 69 11.715 -0.132 13.012 1.00 0.00 H new ATOM 0 HG11 VAL A 69 12.660 1.297 14.777 1.00 0.00 H new ATOM 0 HG12 VAL A 69 13.016 -0.424 15.059 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.282 0.654 14.425 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.427 2.163 12.475 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.039 1.554 12.028 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.611 1.071 11.082 1.00 0.00 H new ATOM 1104 N LYS A 70 12.785 -2.667 14.152 1.00 0.00 N ATOM 1105 CA LYS A 70 12.108 -3.851 14.667 1.00 0.00 C ATOM 1106 C LYS A 70 11.142 -3.482 15.788 1.00 0.00 C ATOM 1107 O LYS A 70 11.561 -3.169 16.903 1.00 0.00 O ATOM 1108 CB LYS A 70 13.131 -4.870 15.173 1.00 0.00 C ATOM 1109 CG LYS A 70 12.506 -6.152 15.698 1.00 0.00 C ATOM 1110 CD LYS A 70 13.326 -6.750 16.826 1.00 0.00 C ATOM 1111 CE LYS A 70 12.439 -7.238 17.962 1.00 0.00 C ATOM 1112 NZ LYS A 70 12.371 -6.252 19.076 1.00 0.00 N ATOM 0 H LYS A 70 13.231 -2.093 14.867 1.00 0.00 H new ATOM 0 HA LYS A 70 11.536 -4.295 13.852 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.817 -5.116 14.363 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.724 -4.414 15.966 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.495 -5.947 16.051 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.420 -6.875 14.887 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.920 -7.580 16.445 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.026 -6.004 17.204 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.435 -7.427 17.583 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.821 -8.186 18.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.757 -6.622 19.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.326 -6.090 19.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.982 -5.355 18.722 1.00 0.00 H new ATOM 1126 N ASP A 71 9.848 -3.524 15.486 1.00 0.00 N ATOM 1127 CA ASP A 71 8.824 -3.196 16.470 1.00 0.00 C ATOM 1128 C ASP A 71 8.376 -4.444 17.224 1.00 0.00 C ATOM 1129 O ASP A 71 8.531 -5.572 16.755 1.00 0.00 O ATOM 1130 CB ASP A 71 7.622 -2.538 15.788 1.00 0.00 C ATOM 1131 CG ASP A 71 7.614 -1.032 15.957 1.00 0.00 C ATOM 1132 OD1 ASP A 71 8.708 -0.429 15.965 1.00 0.00 O ATOM 1133 OD2 ASP A 71 6.513 -0.456 16.082 1.00 0.00 O ATOM 0 H ASP A 71 9.485 -3.782 14.568 1.00 0.00 H new ATOM 0 HA ASP A 71 9.254 -2.495 17.186 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.632 -2.781 14.726 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.702 -2.952 16.201 1.00 0.00 H new ATOM 1138 N PRO A 72 7.807 -4.240 18.421 1.00 0.00 N ATOM 1139 CA PRO A 72 7.326 -5.337 19.267 1.00 0.00 C ATOM 1140 C PRO A 72 6.090 -6.016 18.686 1.00 0.00 C ATOM 1141 O PRO A 72 5.640 -7.043 19.193 1.00 0.00 O ATOM 1142 CB PRO A 72 6.985 -4.644 20.589 1.00 0.00 C ATOM 1143 CG PRO A 72 6.695 -3.232 20.211 1.00 0.00 C ATOM 1144 CD PRO A 72 7.590 -2.923 19.043 1.00 0.00 C ATOM 0 HA PRO A 72 8.067 -6.131 19.366 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.125 -5.110 21.070 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.815 -4.703 21.293 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.646 -3.108 19.942 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.893 -2.557 21.043 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.120 -2.224 18.351 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.528 -2.471 19.364 1.00 0.00 H new ATOM 1152 N GLU A 73 5.546 -5.435 17.621 1.00 0.00 N ATOM 1153 CA GLU A 73 4.362 -5.987 16.973 1.00 0.00 C ATOM 1154 C GLU A 73 4.751 -6.975 15.878 1.00 0.00 C ATOM 1155 O GLU A 73 4.107 -8.008 15.704 1.00 0.00 O ATOM 1156 CB GLU A 73 3.508 -4.862 16.380 1.00 0.00 C ATOM 1157 CG GLU A 73 2.073 -5.271 16.100 1.00 0.00 C ATOM 1158 CD GLU A 73 1.205 -4.103 15.673 1.00 0.00 C ATOM 1159 OE1 GLU A 73 1.572 -3.419 14.695 1.00 0.00 O ATOM 1160 OE2 GLU A 73 0.162 -3.872 16.318 1.00 0.00 O ATOM 0 H GLU A 73 5.906 -4.584 17.189 1.00 0.00 H new ATOM 0 HA GLU A 73 3.781 -6.518 17.727 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.508 -4.016 17.067 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.967 -4.519 15.453 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.062 -6.031 15.319 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.648 -5.726 16.994 1.00 0.00 H new ATOM 1167 N MET A 74 5.808 -6.650 15.143 1.00 0.00 N ATOM 1168 CA MET A 74 6.285 -7.509 14.065 1.00 0.00 C ATOM 1169 C MET A 74 7.806 -7.615 14.086 1.00 0.00 C ATOM 1170 O MET A 74 8.360 -8.685 14.333 1.00 0.00 O ATOM 1171 CB MET A 74 5.817 -6.971 12.711 1.00 0.00 C ATOM 1172 CG MET A 74 5.239 -8.041 11.798 1.00 0.00 C ATOM 1173 SD MET A 74 3.441 -8.129 11.883 1.00 0.00 S ATOM 1174 CE MET A 74 3.154 -9.789 11.272 1.00 0.00 C ATOM 0 H MET A 74 6.352 -5.797 15.274 1.00 0.00 H new ATOM 0 HA MET A 74 5.868 -8.505 14.216 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.064 -6.200 12.876 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.658 -6.492 12.209 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.541 -7.838 10.770 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.659 -9.010 12.068 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.083 -9.994 11.265 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.547 -9.877 10.259 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.657 -10.507 11.920 1.00 0.00 H new ATOM 1184 N GLY A 75 8.476 -6.497 13.822 1.00 0.00 N ATOM 1185 CA GLY A 75 9.927 -6.486 13.814 1.00 0.00 C ATOM 1186 C GLY A 75 10.499 -6.264 12.428 1.00 0.00 C ATOM 1187 O GLY A 75 11.553 -6.800 12.092 1.00 0.00 O ATOM 0 H GLY A 75 8.040 -5.599 13.614 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.285 -5.702 14.481 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.296 -7.433 14.208 1.00 0.00 H new ATOM 1191 N GLU A 76 9.799 -5.471 11.622 1.00 0.00 N ATOM 1192 CA GLU A 76 10.243 -5.182 10.263 1.00 0.00 C ATOM 1193 C GLU A 76 9.715 -3.830 9.796 1.00 0.00 C ATOM 1194 O GLU A 76 9.314 -3.673 8.642 1.00 0.00 O ATOM 1195 CB GLU A 76 9.779 -6.281 9.306 1.00 0.00 C ATOM 1196 CG GLU A 76 10.875 -6.788 8.384 1.00 0.00 C ATOM 1197 CD GLU A 76 10.365 -7.106 6.991 1.00 0.00 C ATOM 1198 OE1 GLU A 76 9.558 -6.314 6.462 1.00 0.00 O ATOM 1199 OE2 GLU A 76 10.772 -8.146 6.433 1.00 0.00 O ATOM 0 H GLU A 76 8.924 -5.018 11.886 1.00 0.00 H new ATOM 0 HA GLU A 76 11.332 -5.148 10.263 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.390 -7.117 9.887 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.955 -5.901 8.702 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.663 -6.038 8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.323 -7.683 8.816 1.00 0.00 H new ATOM 1206 N ILE A 77 9.718 -2.855 10.699 1.00 0.00 N ATOM 1207 CA ILE A 77 9.242 -1.515 10.380 1.00 0.00 C ATOM 1208 C ILE A 77 10.215 -0.791 9.455 1.00 0.00 C ATOM 1209 O ILE A 77 11.248 -0.289 9.897 1.00 0.00 O ATOM 1210 CB ILE A 77 9.036 -0.671 11.651 1.00 0.00 C ATOM 1211 CG1 ILE A 77 8.032 -1.353 12.584 1.00 0.00 C ATOM 1212 CG2 ILE A 77 8.564 0.728 11.288 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.656 -1.517 11.975 1.00 0.00 C ATOM 0 H ILE A 77 10.045 -2.969 11.658 1.00 0.00 H new ATOM 0 HA ILE A 77 8.284 -1.634 9.875 1.00 0.00 H new ATOM 0 HB ILE A 77 9.990 -0.587 12.172 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.416 -2.334 12.863 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.947 -0.771 13.502 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.423 1.312 12.198 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.311 1.212 10.658 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.620 0.665 10.748 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.997 -2.007 12.692 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.251 -0.537 11.721 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.727 -2.125 11.073 1.00 0.00 H new ATOM 1225 N ILE A 78 9.877 -0.740 8.171 1.00 0.00 N ATOM 1226 CA ILE A 78 10.719 -0.073 7.185 1.00 0.00 C ATOM 1227 C ILE A 78 10.569 1.442 7.267 1.00 0.00 C ATOM 1228 O ILE A 78 9.578 2.002 6.799 1.00 0.00 O ATOM 1229 CB ILE A 78 10.383 -0.535 5.754 1.00 0.00 C ATOM 1230 CG1 ILE A 78 10.310 -2.062 5.692 1.00 0.00 C ATOM 1231 CG2 ILE A 78 11.420 -0.009 4.771 1.00 0.00 C ATOM 1232 CD1 ILE A 78 8.894 -2.599 5.689 1.00 0.00 C ATOM 0 H ILE A 78 9.026 -1.153 7.789 1.00 0.00 H new ATOM 0 HA ILE A 78 11.749 -0.345 7.414 1.00 0.00 H new ATOM 0 HB ILE A 78 9.409 -0.132 5.477 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.823 -2.406 4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.846 -2.478 6.545 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.170 -0.343 3.764 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.429 1.081 4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.405 -0.387 5.044 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.918 -3.688 5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.384 -2.285 6.600 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.360 -2.211 4.822 1.00 0.00 H new ATOM 1244 N GLN A 79 11.559 2.098 7.863 1.00 0.00 N ATOM 1245 CA GLN A 79 11.537 3.548 8.005 1.00 0.00 C ATOM 1246 C GLN A 79 11.892 4.229 6.687 1.00 0.00 C ATOM 1247 O GLN A 79 12.570 3.648 5.839 1.00 0.00 O ATOM 1248 CB GLN A 79 12.510 3.991 9.100 1.00 0.00 C ATOM 1249 CG GLN A 79 11.916 4.996 10.071 1.00 0.00 C ATOM 1250 CD GLN A 79 12.941 5.991 10.581 1.00 0.00 C ATOM 1251 OE1 GLN A 79 14.143 5.821 10.374 1.00 0.00 O ATOM 1252 NE2 GLN A 79 12.470 7.036 11.250 1.00 0.00 N ATOM 0 H GLN A 79 12.386 1.648 8.255 1.00 0.00 H new ATOM 0 HA GLN A 79 10.527 3.844 8.286 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.842 3.114 9.656 1.00 0.00 H new ATOM 0 HB3 GLN A 79 13.394 4.427 8.634 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.105 5.535 9.580 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.479 4.464 10.916 1.00 0.00 H new ATOM 0 HE21 GLN A 79 11.466 7.136 11.398 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.112 7.739 11.616 1.00 0.00 H new ATOM 1261 N LEU A 80 11.430 5.463 6.522 1.00 0.00 N ATOM 1262 CA LEU A 80 11.699 6.225 5.307 1.00 0.00 C ATOM 1263 C LEU A 80 11.834 7.713 5.616 1.00 0.00 C ATOM 1264 O LEU A 80 10.931 8.322 6.188 1.00 0.00 O ATOM 1265 CB LEU A 80 10.582 6.004 4.286 1.00 0.00 C ATOM 1266 CG LEU A 80 10.966 6.200 2.819 1.00 0.00 C ATOM 1267 CD1 LEU A 80 10.302 5.143 1.947 1.00 0.00 C ATOM 1268 CD2 LEU A 80 10.585 7.596 2.349 1.00 0.00 C ATOM 0 H LEU A 80 10.867 5.958 7.214 1.00 0.00 H new ATOM 0 HA LEU A 80 12.642 5.873 4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.200 4.990 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.763 6.684 4.520 1.00 0.00 H new ATOM 0 HG LEU A 80 12.047 6.090 2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.587 5.298 0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.624 4.152 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.219 5.221 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.866 7.717 1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.509 7.734 2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.107 8.338 2.953 1.00 0.00 H new ATOM 1280 N GLN A 81 12.966 8.290 5.228 1.00 0.00 N ATOM 1281 CA GLN A 81 13.219 9.708 5.463 1.00 0.00 C ATOM 1282 C GLN A 81 12.971 10.521 4.197 1.00 0.00 C ATOM 1283 O GLN A 81 13.691 10.385 3.208 1.00 0.00 O ATOM 1284 CB GLN A 81 14.654 9.919 5.946 1.00 0.00 C ATOM 1285 CG GLN A 81 14.975 11.367 6.284 1.00 0.00 C ATOM 1286 CD GLN A 81 16.378 11.765 5.870 1.00 0.00 C ATOM 1287 OE1 GLN A 81 17.303 11.761 6.683 1.00 0.00 O ATOM 1288 NE2 GLN A 81 16.544 12.111 4.599 1.00 0.00 N ATOM 0 H GLN A 81 13.722 7.799 4.750 1.00 0.00 H new ATOM 0 HA GLN A 81 12.530 10.051 6.235 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.826 9.302 6.828 1.00 0.00 H new ATOM 0 HB3 GLN A 81 15.343 9.573 5.175 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.255 12.020 5.790 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.860 11.520 7.357 1.00 0.00 H new ATOM 0 HE21 GLN A 81 15.749 12.100 3.960 1.00 0.00 H new ATOM 0 HE22 GLN A 81 17.466 12.388 4.262 1.00 0.00 H new ATOM 1297 N GLY A 82 11.945 11.367 4.234 1.00 0.00 N ATOM 1298 CA GLY A 82 11.621 12.189 3.083 1.00 0.00 C ATOM 1299 C GLY A 82 10.198 12.710 3.124 1.00 0.00 C ATOM 1300 O GLY A 82 9.362 12.191 3.867 1.00 0.00 O ATOM 0 H GLY A 82 11.333 11.497 5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.312 13.031 3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.765 11.607 2.173 1.00 0.00 H new ATOM 1304 N ASP A 83 9.920 13.736 2.328 1.00 0.00 N ATOM 1305 CA ASP A 83 8.588 14.326 2.278 1.00 0.00 C ATOM 1306 C ASP A 83 7.780 13.746 1.120 1.00 0.00 C ATOM 1307 O ASP A 83 6.918 14.419 0.556 1.00 0.00 O ATOM 1308 CB ASP A 83 8.685 15.846 2.137 1.00 0.00 C ATOM 1309 CG ASP A 83 7.374 16.542 2.449 1.00 0.00 C ATOM 1310 OD1 ASP A 83 6.950 16.507 3.623 1.00 0.00 O ATOM 1311 OD2 ASP A 83 6.773 17.120 1.520 1.00 0.00 O ATOM 0 H ASP A 83 10.600 14.177 1.708 1.00 0.00 H new ATOM 0 HA ASP A 83 8.076 14.087 3.210 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.460 16.221 2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.992 16.095 1.121 1.00 0.00 H new ATOM 1316 N GLN A 84 8.067 12.496 0.772 1.00 0.00 N ATOM 1317 CA GLN A 84 7.368 11.827 -0.319 1.00 0.00 C ATOM 1318 C GLN A 84 6.459 10.724 0.213 1.00 0.00 C ATOM 1319 O GLN A 84 6.539 9.577 -0.226 1.00 0.00 O ATOM 1320 CB GLN A 84 8.373 11.242 -1.313 1.00 0.00 C ATOM 1321 CG GLN A 84 9.303 12.280 -1.920 1.00 0.00 C ATOM 1322 CD GLN A 84 10.747 11.821 -1.955 1.00 0.00 C ATOM 1323 OE1 GLN A 84 11.044 10.703 -2.378 1.00 0.00 O ATOM 1324 NE2 GLN A 84 11.654 12.681 -1.509 1.00 0.00 N ATOM 0 H GLN A 84 8.779 11.926 1.230 1.00 0.00 H new ATOM 0 HA GLN A 84 6.751 12.566 -0.830 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.970 10.482 -0.809 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.830 10.741 -2.114 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.974 12.508 -2.934 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.233 13.204 -1.346 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.364 13.597 -1.167 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.642 12.426 -1.508 1.00 0.00 H new ATOM 1333 N ARG A 85 5.596 11.079 1.159 1.00 0.00 N ATOM 1334 CA ARG A 85 4.673 10.118 1.751 1.00 0.00 C ATOM 1335 C ARG A 85 3.721 9.558 0.698 1.00 0.00 C ATOM 1336 O ARG A 85 3.675 8.351 0.469 1.00 0.00 O ATOM 1337 CB ARG A 85 3.874 10.774 2.879 1.00 0.00 C ATOM 1338 CG ARG A 85 3.260 9.779 3.849 1.00 0.00 C ATOM 1339 CD ARG A 85 1.923 10.269 4.379 1.00 0.00 C ATOM 1340 NE ARG A 85 0.799 9.596 3.734 1.00 0.00 N ATOM 1341 CZ ARG A 85 -0.420 9.537 4.258 1.00 0.00 C ATOM 1342 NH1 ARG A 85 -0.671 10.106 5.428 1.00 0.00 N ATOM 1343 NH2 ARG A 85 -1.391 8.905 3.610 1.00 0.00 N ATOM 0 H ARG A 85 5.517 12.025 1.532 1.00 0.00 H new ATOM 0 HA ARG A 85 5.259 9.295 2.161 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.528 11.450 3.430 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.080 11.382 2.445 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.125 8.819 3.350 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.943 9.612 4.682 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.876 10.102 5.455 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.842 11.344 4.219 1.00 0.00 H new ATOM 0 HE ARG A 85 0.959 9.147 2.832 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.073 10.591 5.929 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.608 10.059 5.827 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.201 8.465 2.710 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.327 8.860 4.012 1.00 0.00 H new ATOM 1357 N ALA A 86 2.966 10.446 0.060 1.00 0.00 N ATOM 1358 CA ALA A 86 2.016 10.042 -0.970 1.00 0.00 C ATOM 1359 C ALA A 86 2.699 9.207 -2.048 1.00 0.00 C ATOM 1360 O ALA A 86 2.065 8.378 -2.701 1.00 0.00 O ATOM 1361 CB ALA A 86 1.353 11.264 -1.586 1.00 0.00 C ATOM 0 H ALA A 86 2.993 11.450 0.238 1.00 0.00 H new ATOM 0 HA ALA A 86 1.249 9.426 -0.501 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.647 10.947 -2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.823 11.819 -0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.113 11.903 -2.035 1.00 0.00 H new ATOM 1367 N LYS A 87 3.996 9.432 -2.232 1.00 0.00 N ATOM 1368 CA LYS A 87 4.765 8.701 -3.231 1.00 0.00 C ATOM 1369 C LYS A 87 5.030 7.270 -2.774 1.00 0.00 C ATOM 1370 O LYS A 87 4.889 6.324 -3.549 1.00 0.00 O ATOM 1371 CB LYS A 87 6.092 9.414 -3.504 1.00 0.00 C ATOM 1372 CG LYS A 87 6.564 9.287 -4.942 1.00 0.00 C ATOM 1373 CD LYS A 87 7.491 8.096 -5.122 1.00 0.00 C ATOM 1374 CE LYS A 87 7.840 7.878 -6.587 1.00 0.00 C ATOM 1375 NZ LYS A 87 8.314 6.489 -6.841 1.00 0.00 N ATOM 0 H LYS A 87 4.536 10.115 -1.702 1.00 0.00 H new ATOM 0 HA LYS A 87 4.181 8.668 -4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.985 10.470 -3.257 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.857 9.008 -2.842 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.702 9.181 -5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.081 10.200 -5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.405 8.255 -4.549 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.016 7.200 -4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.965 8.082 -7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.613 8.586 -6.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.978 6.172 -7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.354 6.468 -6.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.942 5.855 -6.105 1.00 0.00 H new ATOM 1389 N VAL A 88 5.413 7.119 -1.510 1.00 0.00 N ATOM 1390 CA VAL A 88 5.695 5.803 -0.949 1.00 0.00 C ATOM 1391 C VAL A 88 4.452 4.922 -0.962 1.00 0.00 C ATOM 1392 O VAL A 88 4.545 3.700 -1.088 1.00 0.00 O ATOM 1393 CB VAL A 88 6.219 5.909 0.495 1.00 0.00 C ATOM 1394 CG1 VAL A 88 6.637 4.542 1.014 1.00 0.00 C ATOM 1395 CG2 VAL A 88 7.377 6.894 0.571 1.00 0.00 C ATOM 0 H VAL A 88 5.535 7.892 -0.855 1.00 0.00 H new ATOM 0 HA VAL A 88 6.464 5.351 -1.575 1.00 0.00 H new ATOM 0 HB VAL A 88 5.413 6.280 1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.004 4.638 2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.780 3.869 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.427 4.138 0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.735 6.956 1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.187 6.554 -0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.040 7.878 0.244 1.00 0.00 H new ATOM 1405 N CYS A 89 3.287 5.549 -0.834 1.00 0.00 N ATOM 1406 CA CYS A 89 2.023 4.822 -0.830 1.00 0.00 C ATOM 1407 C CYS A 89 1.617 4.431 -2.248 1.00 0.00 C ATOM 1408 O CYS A 89 1.079 3.348 -2.474 1.00 0.00 O ATOM 1409 CB CYS A 89 0.925 5.669 -0.188 1.00 0.00 C ATOM 1410 SG CYS A 89 -0.420 4.705 0.542 1.00 0.00 S ATOM 0 H CYS A 89 3.192 6.559 -0.732 1.00 0.00 H new ATOM 0 HA CYS A 89 2.158 3.912 -0.245 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.370 6.296 0.585 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.510 6.339 -0.941 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.299 5.510 1.062 1.00 0.00 H new ATOM 1416 N GLU A 90 1.878 5.323 -3.199 1.00 0.00 N ATOM 1417 CA GLU A 90 1.538 5.072 -4.594 1.00 0.00 C ATOM 1418 C GLU A 90 2.458 4.014 -5.197 1.00 0.00 C ATOM 1419 O GLU A 90 2.039 3.218 -6.038 1.00 0.00 O ATOM 1420 CB GLU A 90 1.629 6.366 -5.406 1.00 0.00 C ATOM 1421 CG GLU A 90 0.326 7.146 -5.456 1.00 0.00 C ATOM 1422 CD GLU A 90 0.435 8.411 -6.285 1.00 0.00 C ATOM 1423 OE1 GLU A 90 1.020 9.396 -5.792 1.00 0.00 O ATOM 1424 OE2 GLU A 90 -0.067 8.413 -7.430 1.00 0.00 O ATOM 0 H GLU A 90 2.323 6.225 -3.029 1.00 0.00 H new ATOM 0 HA GLU A 90 0.514 4.701 -4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.406 7.000 -4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.938 6.126 -6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.457 6.511 -5.870 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.023 7.406 -4.442 1.00 0.00 H new ATOM 1431 N PHE A 91 3.713 4.013 -4.762 1.00 0.00 N ATOM 1432 CA PHE A 91 4.694 3.055 -5.260 1.00 0.00 C ATOM 1433 C PHE A 91 4.518 1.699 -4.586 1.00 0.00 C ATOM 1434 O PHE A 91 4.770 0.655 -5.191 1.00 0.00 O ATOM 1435 CB PHE A 91 6.112 3.577 -5.022 1.00 0.00 C ATOM 1436 CG PHE A 91 7.103 3.109 -6.049 1.00 0.00 C ATOM 1437 CD1 PHE A 91 6.880 3.332 -7.397 1.00 0.00 C ATOM 1438 CD2 PHE A 91 8.258 2.446 -5.666 1.00 0.00 C ATOM 1439 CE1 PHE A 91 7.790 2.903 -8.346 1.00 0.00 C ATOM 1440 CE2 PHE A 91 9.172 2.016 -6.609 1.00 0.00 C ATOM 1441 CZ PHE A 91 8.936 2.244 -7.951 1.00 0.00 C ATOM 0 H PHE A 91 4.075 4.664 -4.066 1.00 0.00 H new ATOM 0 HA PHE A 91 4.535 2.931 -6.331 1.00 0.00 H new ATOM 0 HB2 PHE A 91 6.093 4.667 -5.017 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.447 3.259 -4.034 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.984 3.847 -7.711 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.446 2.263 -4.618 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.604 3.084 -9.394 1.00 0.00 H new ATOM 0 HE2 PHE A 91 10.070 1.502 -6.297 1.00 0.00 H new ATOM 0 HZ PHE A 91 9.648 1.907 -8.690 1.00 0.00 H new ATOM 1451 N MET A 92 4.084 1.719 -3.330 1.00 0.00 N ATOM 1452 CA MET A 92 3.875 0.490 -2.575 1.00 0.00 C ATOM 1453 C MET A 92 2.703 -0.305 -3.142 1.00 0.00 C ATOM 1454 O MET A 92 2.787 -1.522 -3.307 1.00 0.00 O ATOM 1455 CB MET A 92 3.623 0.810 -1.100 1.00 0.00 C ATOM 1456 CG MET A 92 4.865 0.696 -0.232 1.00 0.00 C ATOM 1457 SD MET A 92 4.923 -0.847 0.701 1.00 0.00 S ATOM 1458 CE MET A 92 6.369 -1.623 -0.016 1.00 0.00 C ATOM 0 H MET A 92 3.870 2.573 -2.814 1.00 0.00 H new ATOM 0 HA MET A 92 4.777 -0.117 -2.660 1.00 0.00 H new ATOM 0 HB2 MET A 92 3.225 1.822 -1.019 1.00 0.00 H new ATOM 0 HB3 MET A 92 2.858 0.135 -0.716 1.00 0.00 H new ATOM 0 HG2 MET A 92 5.752 0.768 -0.862 1.00 0.00 H new ATOM 0 HG3 MET A 92 4.897 1.536 0.461 1.00 0.00 H new ATOM 0 HE1 MET A 92 6.172 -2.683 -0.174 1.00 0.00 H new ATOM 0 HE2 MET A 92 6.600 -1.150 -0.971 1.00 0.00 H new ATOM 0 HE3 MET A 92 7.216 -1.508 0.660 1.00 0.00 H new ATOM 1468 N ILE A 93 1.610 0.392 -3.439 1.00 0.00 N ATOM 1469 CA ILE A 93 0.422 -0.249 -3.989 1.00 0.00 C ATOM 1470 C ILE A 93 0.638 -0.650 -5.443 1.00 0.00 C ATOM 1471 O ILE A 93 0.215 -1.724 -5.871 1.00 0.00 O ATOM 1472 CB ILE A 93 -0.808 0.674 -3.899 1.00 0.00 C ATOM 1473 CG1 ILE A 93 -1.041 1.111 -2.451 1.00 0.00 C ATOM 1474 CG2 ILE A 93 -2.039 -0.028 -4.451 1.00 0.00 C ATOM 1475 CD1 ILE A 93 -2.022 2.255 -2.316 1.00 0.00 C ATOM 0 H ILE A 93 1.523 1.400 -3.308 1.00 0.00 H new ATOM 0 HA ILE A 93 0.240 -1.142 -3.392 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.621 1.563 -4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.407 0.259 -1.877 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.088 1.406 -2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.900 0.637 -4.380 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.870 -0.293 -5.495 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.231 -0.933 -3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.139 2.512 -1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.648 3.121 -2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.987 1.957 -2.726 1.00 0.00 H new ATOM 1487 N SER A 94 1.301 0.219 -6.199 1.00 0.00 N ATOM 1488 CA SER A 94 1.571 -0.044 -7.609 1.00 0.00 C ATOM 1489 C SER A 94 2.585 -1.174 -7.765 1.00 0.00 C ATOM 1490 O SER A 94 2.632 -1.840 -8.799 1.00 0.00 O ATOM 1491 CB SER A 94 2.091 1.220 -8.294 1.00 0.00 C ATOM 1492 OG SER A 94 2.286 1.005 -9.681 1.00 0.00 O ATOM 0 H SER A 94 1.661 1.111 -5.860 1.00 0.00 H new ATOM 0 HA SER A 94 0.637 -0.348 -8.083 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.383 2.035 -8.145 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.031 1.526 -7.835 1.00 0.00 H new ATOM 0 HG SER A 94 2.617 1.829 -10.096 1.00 0.00 H new ATOM 1498 N GLN A 95 3.392 -1.384 -6.730 1.00 0.00 N ATOM 1499 CA GLN A 95 4.405 -2.432 -6.753 1.00 0.00 C ATOM 1500 C GLN A 95 3.893 -3.699 -6.076 1.00 0.00 C ATOM 1501 O GLN A 95 4.409 -4.793 -6.307 1.00 0.00 O ATOM 1502 CB GLN A 95 5.683 -1.952 -6.062 1.00 0.00 C ATOM 1503 CG GLN A 95 6.847 -2.920 -6.194 1.00 0.00 C ATOM 1504 CD GLN A 95 7.094 -3.711 -4.925 1.00 0.00 C ATOM 1505 OE1 GLN A 95 7.121 -4.942 -4.942 1.00 0.00 O ATOM 1506 NE2 GLN A 95 7.279 -3.006 -3.814 1.00 0.00 N ATOM 0 H GLN A 95 3.364 -0.843 -5.866 1.00 0.00 H new ATOM 0 HA GLN A 95 4.628 -2.663 -7.795 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.973 -0.989 -6.482 1.00 0.00 H new ATOM 0 HB3 GLN A 95 5.475 -1.789 -5.004 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.650 -3.609 -7.015 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.749 -2.365 -6.453 1.00 0.00 H new ATOM 0 HE21 GLN A 95 7.248 -1.987 -3.846 1.00 0.00 H new ATOM 0 HE22 GLN A 95 7.452 -3.484 -2.930 1.00 0.00 H new ATOM 1515 N LEU A 96 2.874 -3.545 -5.236 1.00 0.00 N ATOM 1516 CA LEU A 96 2.291 -4.676 -4.523 1.00 0.00 C ATOM 1517 C LEU A 96 1.221 -5.359 -5.370 1.00 0.00 C ATOM 1518 O LEU A 96 0.895 -6.525 -5.154 1.00 0.00 O ATOM 1519 CB LEU A 96 1.691 -4.213 -3.195 1.00 0.00 C ATOM 1520 CG LEU A 96 2.661 -4.115 -2.018 1.00 0.00 C ATOM 1521 CD1 LEU A 96 2.099 -3.203 -0.938 1.00 0.00 C ATOM 1522 CD2 LEU A 96 2.955 -5.496 -1.453 1.00 0.00 C ATOM 0 H LEU A 96 2.435 -2.647 -5.032 1.00 0.00 H new ATOM 0 HA LEU A 96 3.084 -5.397 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.235 -3.234 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.889 -4.899 -2.923 1.00 0.00 H new ATOM 0 HG LEU A 96 3.596 -3.685 -2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.803 -3.145 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.941 -2.206 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.150 -3.603 -0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.647 -5.407 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.027 -5.954 -1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.401 -6.119 -2.228 1.00 0.00 H new ATOM 1534 N GLY A 97 0.678 -4.622 -6.334 1.00 0.00 N ATOM 1535 CA GLY A 97 -0.349 -5.174 -7.199 1.00 0.00 C ATOM 1536 C GLY A 97 -1.743 -4.739 -6.794 1.00 0.00 C ATOM 1537 O GLY A 97 -2.651 -5.564 -6.683 1.00 0.00 O ATOM 0 H GLY A 97 0.930 -3.654 -6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.159 -4.864 -8.227 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.291 -6.262 -7.178 1.00 0.00 H new ATOM 1541 N LEU A 98 -1.916 -3.441 -6.570 1.00 0.00 N ATOM 1542 CA LEU A 98 -3.209 -2.899 -6.172 1.00 0.00 C ATOM 1543 C LEU A 98 -3.631 -3.439 -4.810 1.00 0.00 C ATOM 1544 O LEU A 98 -4.724 -3.986 -4.661 1.00 0.00 O ATOM 1545 CB LEU A 98 -4.271 -3.238 -7.219 1.00 0.00 C ATOM 1546 CG LEU A 98 -5.454 -2.274 -7.313 1.00 0.00 C ATOM 1547 CD1 LEU A 98 -4.986 -0.894 -7.751 1.00 0.00 C ATOM 1548 CD2 LEU A 98 -6.505 -2.813 -8.273 1.00 0.00 C ATOM 0 H LEU A 98 -1.176 -2.744 -6.658 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.113 -1.816 -6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.788 -3.285 -8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.657 -4.235 -7.006 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.905 -2.184 -6.325 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.842 -0.222 -7.812 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.271 -0.505 -7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.510 -0.965 -8.729 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.340 -2.114 -8.328 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.066 -2.932 -9.264 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.863 -3.779 -7.916 1.00 0.00 H new ATOM 1560 N GLN A 99 -2.760 -3.280 -3.820 1.00 0.00 N ATOM 1561 CA GLN A 99 -3.044 -3.751 -2.469 1.00 0.00 C ATOM 1562 C GLN A 99 -3.646 -2.636 -1.619 1.00 0.00 C ATOM 1563 O GLN A 99 -2.956 -1.690 -1.238 1.00 0.00 O ATOM 1564 CB GLN A 99 -1.768 -4.278 -1.810 1.00 0.00 C ATOM 1565 CG GLN A 99 -1.940 -4.626 -0.342 1.00 0.00 C ATOM 1566 CD GLN A 99 -0.676 -5.192 0.277 1.00 0.00 C ATOM 1567 OE1 GLN A 99 -0.247 -4.758 1.345 1.00 0.00 O ATOM 1568 NE2 GLN A 99 -0.075 -6.167 -0.394 1.00 0.00 N ATOM 0 H GLN A 99 -1.852 -2.829 -3.927 1.00 0.00 H new ATOM 0 HA GLN A 99 -3.769 -4.562 -2.540 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -1.431 -5.164 -2.348 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.983 -3.528 -1.907 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.240 -3.733 0.206 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.747 -5.351 -0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.467 -6.496 -1.277 1.00 0.00 H new ATOM 0 HE22 GLN A 99 0.779 -6.588 -0.027 1.00 0.00 H new ATOM 1577 N LYS A 100 -4.936 -2.755 -1.323 1.00 0.00 N ATOM 1578 CA LYS A 100 -5.631 -1.759 -0.517 1.00 0.00 C ATOM 1579 C LYS A 100 -6.773 -2.395 0.270 1.00 0.00 C ATOM 1580 O LYS A 100 -7.683 -1.706 0.730 1.00 0.00 O ATOM 1581 CB LYS A 100 -6.174 -0.640 -1.409 1.00 0.00 C ATOM 1582 CG LYS A 100 -6.231 0.713 -0.721 1.00 0.00 C ATOM 1583 CD LYS A 100 -7.135 1.681 -1.466 1.00 0.00 C ATOM 1584 CE LYS A 100 -7.666 2.770 -0.548 1.00 0.00 C ATOM 1585 NZ LYS A 100 -7.473 4.128 -1.128 1.00 0.00 N ATOM 0 H LYS A 100 -5.521 -3.532 -1.630 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.916 -1.338 0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.549 -0.560 -2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.175 -0.909 -1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.593 0.588 0.300 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.226 1.131 -0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.583 2.135 -2.289 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.970 1.135 -1.905 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.727 2.602 -0.361 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.160 2.711 0.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.848 4.842 -0.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.459 4.299 -1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.977 4.193 -2.035 1.00 0.00 H new ATOM 1599 N LYS A 101 -6.716 -3.714 0.422 1.00 0.00 N ATOM 1600 CA LYS A 101 -7.742 -4.445 1.156 1.00 0.00 C ATOM 1601 C LYS A 101 -7.915 -3.876 2.561 1.00 0.00 C ATOM 1602 O LYS A 101 -8.983 -3.993 3.159 1.00 0.00 O ATOM 1603 CB LYS A 101 -7.382 -5.929 1.237 1.00 0.00 C ATOM 1604 CG LYS A 101 -8.093 -6.786 0.204 1.00 0.00 C ATOM 1605 CD LYS A 101 -9.501 -7.144 0.652 1.00 0.00 C ATOM 1606 CE LYS A 101 -9.859 -8.573 0.276 1.00 0.00 C ATOM 1607 NZ LYS A 101 -9.721 -8.814 -1.186 1.00 0.00 N ATOM 0 H LYS A 101 -5.969 -4.299 0.046 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.684 -4.335 0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.305 -6.040 1.110 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.625 -6.299 2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.137 -6.252 -0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.522 -7.698 0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.583 -7.019 1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.214 -6.457 0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.215 -9.264 0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.883 -8.783 0.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.147 -9.731 -1.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.206 -8.058 -1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.713 -8.822 -1.443 1.00 0.00 H new ATOM 1621 N ASN A 102 -6.859 -3.258 3.078 1.00 0.00 N ATOM 1622 CA ASN A 102 -6.895 -2.669 4.412 1.00 0.00 C ATOM 1623 C ASN A 102 -5.607 -1.908 4.707 1.00 0.00 C ATOM 1624 O ASN A 102 -4.528 -2.299 4.260 1.00 0.00 O ATOM 1625 CB ASN A 102 -7.112 -3.757 5.465 1.00 0.00 C ATOM 1626 CG ASN A 102 -7.634 -3.198 6.776 1.00 0.00 C ATOM 1627 OD1 ASN A 102 -7.022 -2.310 7.372 1.00 0.00 O ATOM 1628 ND2 ASN A 102 -8.769 -3.717 7.229 1.00 0.00 N ATOM 0 H ASN A 102 -5.967 -3.152 2.594 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.726 -1.965 4.449 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -7.817 -4.495 5.081 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.172 -4.278 5.644 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -9.169 -3.382 8.105 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -9.241 -4.451 6.701 1.00 0.00 H new ATOM 1635 N ILE A 103 -5.727 -0.822 5.462 1.00 0.00 N ATOM 1636 CA ILE A 103 -4.571 -0.008 5.819 1.00 0.00 C ATOM 1637 C ILE A 103 -4.654 0.461 7.267 1.00 0.00 C ATOM 1638 O ILE A 103 -5.610 1.128 7.662 1.00 0.00 O ATOM 1639 CB ILE A 103 -4.445 1.221 4.899 1.00 0.00 C ATOM 1640 CG1 ILE A 103 -3.202 2.035 5.267 1.00 0.00 C ATOM 1641 CG2 ILE A 103 -5.696 2.083 4.992 1.00 0.00 C ATOM 1642 CD1 ILE A 103 -2.997 3.255 4.397 1.00 0.00 C ATOM 0 H ILE A 103 -6.613 -0.485 5.839 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.690 -0.638 5.695 1.00 0.00 H new ATOM 0 HB ILE A 103 -4.340 0.877 3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -3.279 2.350 6.308 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.323 1.394 5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.592 2.947 4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.564 1.499 4.687 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -5.829 2.421 6.020 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.098 3.782 4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.887 2.946 3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -3.858 3.917 4.490 1.00 0.00 H new ATOM 1654 N LYS A 104 -3.644 0.108 8.055 1.00 0.00 N ATOM 1655 CA LYS A 104 -3.601 0.495 9.461 1.00 0.00 C ATOM 1656 C LYS A 104 -2.675 1.689 9.667 1.00 0.00 C ATOM 1657 O LYS A 104 -1.451 1.555 9.613 1.00 0.00 O ATOM 1658 CB LYS A 104 -3.131 -0.682 10.320 1.00 0.00 C ATOM 1659 CG LYS A 104 -3.124 -0.384 11.809 1.00 0.00 C ATOM 1660 CD LYS A 104 -3.087 -1.659 12.633 1.00 0.00 C ATOM 1661 CE LYS A 104 -4.489 -2.151 12.962 1.00 0.00 C ATOM 1662 NZ LYS A 104 -4.682 -2.335 14.427 1.00 0.00 N ATOM 0 H LYS A 104 -2.845 -0.445 7.745 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.608 0.781 9.766 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.778 -1.539 10.133 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.126 -0.968 10.011 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.259 0.233 12.053 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.011 0.193 12.070 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.548 -2.432 12.085 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.537 -1.481 13.557 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.222 -1.437 12.586 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.672 -3.096 12.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.649 -2.671 14.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -3.999 -3.035 14.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.532 -1.428 14.913 1.00 0.00 H new ATOM 1676 N ILE A 105 -3.265 2.855 9.907 1.00 0.00 N ATOM 1677 CA ILE A 105 -2.493 4.071 10.124 1.00 0.00 C ATOM 1678 C ILE A 105 -2.533 4.493 11.589 1.00 0.00 C ATOM 1679 O ILE A 105 -3.583 4.451 12.231 1.00 0.00 O ATOM 1680 CB ILE A 105 -3.011 5.232 9.253 1.00 0.00 C ATOM 1681 CG1 ILE A 105 -3.222 4.760 7.813 1.00 0.00 C ATOM 1682 CG2 ILE A 105 -2.039 6.401 9.296 1.00 0.00 C ATOM 1683 CD1 ILE A 105 -3.754 5.840 6.896 1.00 0.00 C ATOM 0 H ILE A 105 -4.276 2.983 9.956 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.465 3.846 9.840 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.969 5.567 9.651 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.275 4.392 7.417 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.916 3.919 7.812 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.419 7.213 8.676 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.933 6.748 10.324 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.068 6.081 8.919 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.879 5.435 5.892 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.716 6.192 7.268 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.050 6.672 6.867 1.00 0.00 H new ATOM 1695 N HIS A 106 -1.381 4.903 12.112 1.00 0.00 N ATOM 1696 CA HIS A 106 -1.285 5.336 13.502 1.00 0.00 C ATOM 1697 C HIS A 106 -1.607 6.824 13.631 1.00 0.00 C ATOM 1698 O HIS A 106 -1.144 7.639 12.836 1.00 0.00 O ATOM 1699 CB HIS A 106 0.115 5.057 14.050 1.00 0.00 C ATOM 1700 CG HIS A 106 0.240 5.294 15.524 1.00 0.00 C ATOM 1701 ND1 HIS A 106 0.341 6.553 16.076 1.00 0.00 N ATOM 1702 CD2 HIS A 106 0.278 4.424 16.560 1.00 0.00 C ATOM 1703 CE1 HIS A 106 0.438 6.447 17.390 1.00 0.00 C ATOM 1704 NE2 HIS A 106 0.402 5.165 17.709 1.00 0.00 N ATOM 0 H HIS A 106 -0.503 4.944 11.595 1.00 0.00 H new ATOM 0 HA HIS A 106 -2.014 4.772 14.084 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.382 4.023 13.833 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.833 5.688 13.527 1.00 0.00 H new ATOM 0 HD2 HIS A 106 0.221 3.347 16.495 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.531 7.269 18.085 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.457 4.788 18.655 1.00 0.00 H new ATOM 1712 N GLY A 107 -2.404 7.165 14.639 1.00 0.00 N ATOM 1713 CA GLY A 107 -2.774 8.552 14.854 1.00 0.00 C ATOM 1714 C GLY A 107 -1.732 9.315 15.648 1.00 0.00 C ATOM 1715 O GLY A 107 -1.654 9.182 16.870 1.00 0.00 O ATOM 0 H GLY A 107 -2.800 6.506 15.310 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.920 9.039 13.890 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -3.728 8.593 15.379 1.00 0.00 H new ATOM 1719 N PHE A 108 -0.929 10.113 14.954 1.00 0.00 N ATOM 1720 CA PHE A 108 0.115 10.899 15.603 1.00 0.00 C ATOM 1721 C PHE A 108 1.087 9.994 16.355 1.00 0.00 C ATOM 1722 O PHE A 108 2.276 10.294 16.457 1.00 0.00 O ATOM 1723 CB PHE A 108 -0.504 11.913 16.564 1.00 0.00 C ATOM 1724 CG PHE A 108 0.062 13.298 16.420 1.00 0.00 C ATOM 1725 CD1 PHE A 108 1.345 13.586 16.859 1.00 0.00 C ATOM 1726 CD2 PHE A 108 -0.688 14.312 15.848 1.00 0.00 C ATOM 1727 CE1 PHE A 108 1.869 14.858 16.728 1.00 0.00 C ATOM 1728 CE2 PHE A 108 -0.170 15.586 15.715 1.00 0.00 C ATOM 1729 CZ PHE A 108 1.111 15.859 16.156 1.00 0.00 C ATOM 0 H PHE A 108 -0.980 10.233 13.942 1.00 0.00 H new ATOM 0 HA PHE A 108 0.667 11.433 14.830 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -1.581 11.950 16.397 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -0.352 11.571 17.588 1.00 0.00 H new ATOM 0 HD1 PHE A 108 1.942 12.807 17.309 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.690 14.104 15.502 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.871 15.068 17.073 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.766 16.368 15.267 1.00 0.00 H new ATOM 0 HZ PHE A 108 1.518 16.854 16.053 1.00 0.00 H new TER 1739 PHE A 108